SCHEMBL6613495

SCHEMBL6613495

O=C(O)Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
NAPRT Q6XQN6 1/20 0.37
AKR1B1 P15121 2/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
NOS1 P29475 3/20 0.35
BMP1 P13497 1/20 0.35
TBXAS1 P24557 3/20 0.34
PTGIS Q16647 1/20 0.33

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
SCHEMBL3516047 0.85 CYP11B1 (0.41) HDAC3HDAC6PTGS1PTGS2CYP11B1
SCHEMBL9239487 0.84 CYP11B1 (0.37) HDAC3HDAC6PTGS2CYP11B1CYP11B2
SCHEMBL1765841 0.82 CYP11B1 (0.40) HDAC3HDAC6PTGS2CYP11B1CYP11B2
SCHEMBL9233637 0.79 HDAC3 (0.38) HDAC3HDAC6PTGS1PTGS2CYP11B1
SCHEMBL8481796 0.79 CYP11B1 (0.40) HDAC3HDAC6PTGS2CYP11B1CYP11B2
SCHEMBL28365560 0.79 TBXAS1 (0.41) HDAC3HDAC6CYP11B1CYP11B2NOS1
SCHEMBL4957722 0.79 NOS1 (0.47) PTGS1NOS1BMP1
SCHEMBL5643534 0.79 NOS1 (0.47) PTGS1NOS1BMP1
SCHEMBL9235495 0.78 CYP11B1 (0.37) HDAC3HDAC6PTGS2CYP11B1CYP11B2
SCHEMBL28067941 0.78 CYP11B1 (0.42) HDAC3HDAC6PTGS2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-20030216441-A1 Farnesyltransferase inhibitors WEINSTOCK, STEVEN F. 2003-11-20 US disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 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-20030216441-A1 Farnesyltransferase inhibitors FNTA, FNTB, LCAT HDAC3 1462/4885HDAC6 647/4885PTGS1 664/4885

“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.