SCHEMBL2436716

SCHEMBL2436716

Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.62
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
ALOX15 P16050 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54

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
SCHEMBL3152566 0.88 F10 (0.69) F10RAB9ANPC1ALOX15HTT
SCHEMBL2434397 0.84 F10 (0.56) F10RAB9ANPC1ALOX15HTT
SCHEMBL799808 0.82 RAB9A (0.63) F10RAB9ANPC1ALOX15HTT
SCHEMBL890674 0.82 NPC1 (0.70) F10RAB9ANPC1ALOX15HTT
SCHEMBL30338953 0.82 NPC1 (0.70) F10RAB9ANPC1ALOX15HTT
SCHEMBL24073685 0.81 NPC1 (0.69) F10RAB9ANPC1ALOX15HTT
SCHEMBL30142733 0.81 NPC1 (0.69) F10RAB9ANPC1ALOX15HTT
SCHEMBL3151641 0.80 SORT1 (0.61) F10RAB9ANPC1ALOX15HTT
SCHEMBL13315106 0.79 SMN1; SMN2 (0.87) F10RAB9ANPC1ALOX15HTT
SCHEMBL24074627 0.79 NPC1 (0.66) F10RAB9ANPC1ALOX15HTT

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
EP-2542529-B1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA LLC PHARMADIALL (RU) 2019-09-04 EP disclosed
US-9708265-B2 Urethanes, ureas, amidines and related inhibitors of factor Xa PHARMADIALL LIMITED LIABILITY COMPANY (RU) 2017-07-18 US disclosed
EP-2542529-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA Tovbin, Dmitry Gennadievich (RU) 2013-01-09 EP disclosed
US-20130005778-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA PHARMADIALL LIMITED LIABILITY COMPANY (RU) 2013-01-03 US disclosed
WO-2011108963-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA TOVBIN DMITRY GENNADIEVICH (RU) 2011-09-09 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 (1 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-20130005778-A1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA PLAUR, PLAU, UTS2R F10 9/4885RAB9A 1722/4885NPC1 2720/4885

“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.