SCHEMBL3869652

SCHEMBL3869652

O=C(O)c1c(-c2ccc(Cl)cc2)cn2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
ALDH1A1 P00352 9/20 1.00
MAPT P10636 6/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
HPGD P15428 6/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
GAA P10253 4/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.52
ATM Q13315 1/20 0.52
HTT P42858 2/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL30997233 0.89 KDM4E (0.80) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL9518821 0.79 ALDH1A1 (0.65) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL27478028 0.77 ALDH1A1 (0.62) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6032317 0.74 KDM4E (0.57) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL27836738 0.74 KDM4E (0.58) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL9518758 0.73 KDM4E (0.56) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2807005 0.73 ALDH1A1 (0.56) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL30997272 0.72 KDM4E (0.57) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3597471 0.71 KDM4E (0.55) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL28160835 0.70 KDM4E (0.54) KDM4EALDH1A1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601686-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-7601686-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-7601686-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
EP-1904516-A2 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2008-04-02 EP disclosed
WO-2007008657-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-18 WO disclosed
WO-2007008657-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-18 WO disclosed
US-20070010455-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-11 US disclosed
US-20070010455-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-11 US disclosed
US-20070010455-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-11 US 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-20070010455-A1 Hepatitis C virus inhibitors HAVCR2, VIP, ENPEP KDM4E 4303/4885ALDH1A1 3360/4885MAPT 4458/4885

“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.