SCHEMBL718902

SCHEMBL718902

COCc1nn(-c2ccc(C(F)(F)F)cn2)cc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.42
LMNA P02545 5/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 6/20 0.41
POLB P06746 2/20 0.40
CFTR P13569 1/20 0.40
HDAC4 P56524 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GCGR P47871 1/20 0.38

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
SCHEMBL719745 0.91 SMN1; SMN2 (0.47) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL718600 0.89 SMN1; SMN2 (0.45) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL27852540 0.87 SMN1; SMN2 (0.44) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL14905671 0.85 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL719678 0.83 CFTR (0.41) MAPTGAAALDH1A1KDM4ECFTR
SCHEMBL719325 0.83 LMNA (0.43) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL719337 0.82 PANK3 (0.42) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL719795 0.81 SMN1; SMN2 (0.38) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL719529 0.80 LMNA (0.43) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6035696 0.79 SMN1; SMN2 (0.57) MAPTSMN1; SMN2NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885SMN1; SMN2 1051/4885NPC1 902/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885SMN1; SMN2 1051/4885NPC1 902/4885

“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.