SCHEMBL3205512

SCHEMBL3205512

c1ccc2c(c1)NC(c1cccc3ccccc13)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.53
KMT2A Q03164 10/20 0.53
GAA P10253 9/20 0.53
ALDH1A1 P00352 7/20 0.53
MAPT P10636 6/20 0.53
HPGD P15428 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ALOX12 P18054 3/20 0.53
TSHR P16473 3/20 0.53
HSD17B10 Q99714 3/20 0.53
POLB P06746 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
RAB9A P51151 2/20 0.53
ALOX15 P16050 2/20 0.53
APP P05067 1/20 0.53
SNCA P37840 1/20 0.53
MCL1 Q07820 1/20 0.53

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
SCHEMBL14709205 0.90 MEN1 (0.67) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL27944825 0.84 TNKS2 (0.62) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL31237630 0.84 TNKS2 (0.62) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL7686343 0.84 TNKS2 (0.62) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL21976469 0.75 HDAC6 (0.47) KDM4E
SCHEMBL27925478 0.74 TNKS2 (0.43) KMT2AGAAALDH1A1MAPTHPGD
SCHEMBL11203146 0.73 MEN1 (0.57) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL18732436 0.72 KDM1A (0.43) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL11754085 0.71 RAB9A (0.49) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL8658829 0.71 KDM1A (0.42) MEN1KMT2AALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 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 (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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 MEN1 1894/4885KMT2A 4119/4885GAA 130/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 MEN1 1894/4885KMT2A 4119/4885GAA 130/4885

“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.