SCHEMBL7225328

SCHEMBL7225328

COc1ccc(-c2ccc(CO)cc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
PPARG P37231 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
MAPT P10636 7/20 0.45
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
FYN P06241 4/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRAF P15056 1/20 0.39
P2RX7 Q99572 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
SCHEMBL13637133 0.84 RAB9A (0.47) NPC1RAB9APPARGDUSP3PTPN5
SCHEMBL9140591 0.79 LMNA (0.48) NPC1RAB9APPARGDUSP3PTPN5
SCHEMBL13625508 0.79 NPC1 (0.44) NPC1RAB9APPARGDUSP3PTPN5
SCHEMBL12970083 0.78 FYN (0.41) NPC1RAB9AMAPTLMNAFYN
SCHEMBL13052057 0.78 NNMT (0.39) NPC1RAB9APPARGDUSP3PTPN5
SCHEMBL13140612 0.77 MAPT (0.49) NPC1RAB9APPARGDUSP3PTPN5
SCHEMBL25591566 0.77 MAPT (0.62) NPC1RAB9AMAPTLMNATP53
SCHEMBL25366399 0.76 BTK (0.42) MAPTPOLBFYNBRAF
SCHEMBL6852515 0.76 LMNA (0.40) NPC1RAB9APPARGDUSP3PTPN5
SCHEMBL6852522 0.76 LMNA (0.40) NPC1RAB9APPARGDUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 NPC1 4442/4885RAB9A 2313/4885PPARG 2788/4885

“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.