SCHEMBL2000654

SCHEMBL2000654

COC(=O)c1cn(-c2ccccc2C(C)C)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.63
KMT2A Q03164 10/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
THRB P10828 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.46
HTR7 P34969 1/20 0.46

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
SCHEMBL2000520 0.85 HTR7 (0.50) NR4A2KDM4EALDH1A1HTR7
SCHEMBL4137522 0.81 NR4A2 (0.66) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL440604 0.81 NR4A2 (0.66) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL17782448 0.81 NR4A2 (0.70) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL2001794 0.78 SMN1; SMN2 (0.47) KMT2AMEN1KDM4ETHRBGAA
SCHEMBL6298233 0.78 NR4A2 (0.61) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL408819 0.77 NR4A2 (1.00) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL2002753 0.77 MAOB (0.47) ALDH1A1THRBSMN1; SMN2MAPT
SCHEMBL2001384 0.76 CFTR (0.45) SMN1; SMN2HTR7
SCHEMBL19407224 0.76 NR4A2 (0.79) NR4A2KMT2AMEN1KDM4EALDH1A1

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-7960569-B2 Such as 3-(2-isopropylphenyl)-N-phenyl-1H-indol-1-carboxamide; purinergic receptors (P2Y1) BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
EP-2077992-A2 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Brystol-Myers Squibb Company (US) 2009-07-15 EP disclosed
US-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 US disclosed
WO-2008048981-A2 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-24 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-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 NR4A2 1759/4885KMT2A 4043/4885MEN1 1104/4885

“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.