SCHEMBL7528112

SCHEMBL7528112

N#Cc1ccccc1NCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
TSHR P16473 2/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 2/20 0.45
GAA P10253 5/20 0.45
GLA P06280 3/20 0.45
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
MITF O75030 1/20 0.41
TTR P02766 1/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
MAPK1 P28482 1/20 0.40
NLRP3 Q96P20 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7522731 0.89 KDM4E (0.54) KDM4ETSHRHPGDHSD17B10TDP1
SCHEMBL7522536 0.87 KDM4E (0.54) KDM4ETSHRHPGDHSD17B10TDP1
SCHEMBL7527490 0.83 KDM4E (0.49) KDM4ETSHRHPGDHSD17B10TDP1
SCHEMBL14661457 0.81 KDM4E (0.45) KDM4ETSHRHPGDHSD17B10TDP1
SCHEMBL20156858 0.81 TSHR (0.58) KDM4ETSHRHPGDHSD17B10TDP1
SCHEMBL30317451 0.81 TSHR (0.58) KDM4ETSHRHPGDHSD17B10TDP1
SCHEMBL2122821 0.81 TSHR (0.58) KDM4ETSHRHPGDHSD17B10TDP1
SCHEMBL27875640 0.81 KDM4E (0.58) KDM4ETSHRHPGDHSD17B10TDP1
SCHEMBL7521970 0.79 KDM4E (0.61) KDM4ETSHRHPGDHSD17B10TDP1
SCHEMBL4035375 0.79 ALDH1A1 (0.58) KDM4ETSHRHPGDHSD17B10TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-12-19 US disclosed
US-6127541-A 8-((DISUBSTITUTED AMINO)BENZYLAMINO)-2,3-DIHYDRO-1H-IMIDAZO(4,5-G)QUINAZOLINE-(2-THIONE OR 2-ONE); SELECTIVE CYCLIC GUANOSINE 3',5' MONOPHOSPHATE (CGMP)--SPECIFIC PHOSPHODIESTERASE (PDE) INHIBITORY ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-10-03 US disclosed
EP-0863144-A1 IMIDAZOQUINAZOLINE DERIVATIVES Kyowa Hakko Co., Ltd. (JP) 1998-09-09 EP 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 (2 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-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA KDM4E 3935/4885TSHR 3674/4885HPGD 833/4885
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives MKI67, HRAS, VHL KDM4E 2757/4885TSHR 3983/4885HPGD 394/4885

“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.