SCHEMBL1154557

SCHEMBL1154557

N#Cc1c(F)cccc1N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
ALDH1A1 P00352 4/20 0.71
HPGD P15428 2/20 0.71
HSD17B10 Q99714 2/20 0.71
L3MBTL1 Q9Y468 3/20 0.63
DRD2 P14416 1/20 0.56
HTR2A P28223 1/20 0.56
HRH1 P35367 1/20 0.56
PDCD1 Q15116 2/20 0.48
CD274 Q9NZQ7 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
GAA P10253 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
AR P10275 1/20 0.42
LMNA P02545 1/20 0.42
KEAP1 Q14145 1/20 0.42
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16793536 1.00 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL8569982 0.98 ALDH1A1 (0.73) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL823501 0.83 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL29599792 0.83 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3076269 0.83 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL10934231 0.83 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL2075341 0.83 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL573134 0.82 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1871089 0.82 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL22964425 0.82 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
EP-3041842-B1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS INC (US) 2019-10-23 EP disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20180256574-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-09-13 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-9067897-B2 2,4-Diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-06-30 US disclosed
WO-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 WO disclosed
US-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2015-03-19 US disclosed
WO-2015035113-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-03-12 WO disclosed
EP-2514748-A1 2,4-diaminoquinazolines for spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2012-10-24 EP disclosed
US-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-05-12 US disclosed
US-7888366-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-02-15 US disclosed
EP-1765810-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Decode Chemistry, Inc. (US) 2007-03-28 EP disclosed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO disclosed
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy DECODE CHEMISTRY, INC. (US) 2005-12-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B KDM4E 214/4885ALDH1A1 1696/4885HPGD 2395/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B KDM4E 214/4885ALDH1A1 1696/4885HPGD 2395/4885
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885HPGD 140/4885
US-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885HPGD 140/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885HPGD 140/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885HPGD 140/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885HPGD 140/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885HPGD 140/4885
US-20180256574-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885HPGD 140/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885HPGD 140/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885HPGD 140/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KDM4E 2437/4885ALDH1A1 433/4885HPGD 140/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.