SCHEMBL7240503

SCHEMBL7240503

CC(C)(C)OC(=O)NCc1ccccc1-n1nc(C(F)(F)F)cc1-c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ADORA2A P29274 7/20 0.40
ADORA3 P0DMS8 4/20 0.40
ADORA1 P30542 5/20 0.39
NR3C2 P08235 1/20 0.39
ADORA2B P29275 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KLKB1 P03952 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL4563917 0.83 CARM1 (0.49) KLKB1
SCHEMBL7229018 0.81 F10 (0.45) KLKB1F10
SCHEMBL7230395 0.79 KDM4E (0.48) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL7230019 0.77 KDM4E (0.44) POLBNR3C2ALDH1A1HPGDKDM4E
SCHEMBL5070346 0.74 ADORA3 (0.41) LMNAPOLBADORA3ALDH1A1HPGD
SCHEMBL4564047 0.74 ADORA3 (0.41) LMNAPOLBADORA3ALDH1A1HPGD
SCHEMBL7239926 0.74 MAPT (0.46) POLBALDH1A1HPGDKDM4ETSHR
SCHEMBL5064194 0.74 ADORA3 (0.42) LMNAPOLBADORA2AADORA3ALDH1A1
SCHEMBL5064195 0.74 ADORA3 (0.42) LMNAPOLBADORA2AADORA3ALDH1A1
SCHEMBL5069680 0.74 ADORA3 (0.42) LMNAPOLBADORA2AADORA3ADORA1

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
US-6548525-B2 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 US disclosed
US-6271237-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2001-08-07 US disclosed
WO-1999032454-A9 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARM CO (US) 2001-05-31 WO disclosed
EP-1042299-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-10-11 EP disclosed
WO-1999032454-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-01 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-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors F12, F11, F2 LMNA 1138/4885POLB 3078/4885ADORA2A 1748/4885

“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.