SCHEMBL3102985

SCHEMBL3102985

Cc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3ccccn3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.46
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 2/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL13335742 0.88 CNR1 (0.44) NPC1RAB9AL3MBTL1SMN1; SMN2HPGD
SCHEMBL3109829 0.84 MCL1 (0.45) MCL1THRBSMN1; SMN2HPGDLMNA
SCHEMBL3554192 0.83 MCL1 (0.50) MCL1NPC1RAB9ATHRBSMN1; SMN2
SCHEMBL3560389 0.83 MCL1 (0.52) MCL1NPC1RAB9ATHRBSMN1; SMN2
SCHEMBL3556744 0.82 MCL1 (0.47) MCL1NPC1RAB9AL3MBTL1THRB
SCHEMBL3108280 0.82 MCL1 (0.53) MCL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3109680 0.82 MCL1 (0.43) MCL1THRBSMN1; SMN2HPGDLMNA
SCHEMBL3108402 0.82 SCN9A (0.47) MCL1THRBSMN1; SMN2HPGDLMNA
SCHEMBL3562497 0.82 MKNK1 (0.49) MCL1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL3102693 0.82 MCL1 (0.46) MCL1NPC1RAB9AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885NPC1 1817/4885RAB9A 4187/4885

“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.