SCHEMBL3560339

SCHEMBL3560339

Cc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(CNC(=O)O)c3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.46
KMT2A Q03164 2/20 0.40
SERPINE1 P05121 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
HCRTR1 O43613 1/20 0.38
SHMT1 P34896 2/20 0.37
SHMT2 P34897 2/20 0.37
TP53 P04637 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
PTGER4 P35408 1/20 0.37
THRB P10828 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL3563528 0.94 MCL1 (0.42) MCL1KMT2ASERPINE1SMN1; SMN2NPC1
SCHEMBL5011218 0.92 MCL1 (0.41) MCL1KMT2ASERPINE1SMN1; SMN2SHMT1
SCHEMBL5013982 0.90 SMN1; SMN2 (0.43) MCL1KMT2ASMN1; SMN2
SCHEMBL3551343 0.90 BTK (0.43) MCL1KMT2ASERPINE1SMN1; SMN2NPC1
SCHEMBL3099703 0.89 MCL1 (0.47) MCL1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL3100961 0.88 MCL1 (0.46) MCL1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3559001 0.88 MCL1 (0.41) MCL1KMT2ASMN1; SMN2MEN1
SCHEMBL3109766 0.87 MCL1 (0.46) MCL1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3096701 0.87 MCL1 (0.40) MCL1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3093077 0.87 MCL1 (0.45) MCL1KMT2ASMN1; SMN2NPC1RAB9A

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-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 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-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MCL1 57/4885KMT2A 1762/4885SERPINE1 2718/4885

“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.