SCHEMBL446237

SCHEMBL446237

Cc1cc(Oc2ccccc2)nc(Cl)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
MAPK1 P28482 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
HPGD P15428 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
ATM Q13315 1/20 0.63
HTT P42858 3/20 0.61
ALDH1A1 P00352 4/20 0.60
TSHR P16473 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 2/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.49
LMNA P02545 5/20 0.47

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
SCHEMBL18153261 0.86 ALDH1A1 (0.64) MAPTMAPK1L3MBTL1HPGDMEN1
SCHEMBL17608958 0.85 ALDH1A1 (0.54) MAPTMAPK1L3MBTL1HPGDMEN1
SCHEMBL17608909 0.83 ALDH1A1 (0.60) MAPTMAPK1L3MBTL1HPGDMEN1
SCHEMBL3410924 0.83 ALDH1A1 (0.61) MAPTMAPK1L3MBTL1HPGDMEN1
SCHEMBL17608959 0.82 ALDH1A1 (0.51) MAPTMAPK1L3MBTL1HPGDMEN1
SCHEMBL17608965 0.82 ALDH1A1 (0.51) MAPTMAPK1L3MBTL1HPGDMEN1
SCHEMBL16579676 0.82 MAPT (0.58) MAPTMAPK1L3MBTL1HPGDMEN1
SCHEMBL18951960 0.81 MEN1 (0.50) MAPTMAPK1L3MBTL1HPGDMEN1
SCHEMBL17623918 0.81 MAPT (0.67) MAPTMAPK1L3MBTL1HPGDMEN1
SCHEMBL3411045 0.80 ALDH1A1 (0.58) MAPTMAPK1L3MBTL1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
CN-107108625-A Spirocyclic derivatives 克罗诺斯治疗有限公司 2017-08-29 CN disclosed
EP-3201195-A1 SPIROCYCLIC DERIVATIVES Chronos Therapeutics Limited (GB) 2017-08-09 EP disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO disclosed
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO 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-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 MAPT 2412/4885MAPK1 3322/4885L3MBTL1 1185/4885
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS MAPT 4852/4885MAPK1 3079/4885L3MBTL1 3132/4885

“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.