SCHEMBL16712926

SCHEMBL16712926

COc1ccc(C(=O)Cl)cc1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 3/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ SMPD1 P17405 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TTR P02766 1/20 0.43

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
SCHEMBL30791351 0.88 MRGPRX4 (0.58) POLBLMNAMAPTMRGPRX4SMN1; SMN2
SCHEMBL8891409 0.88 BACE1 (0.54) LMNAMAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL16712923 0.86 LMNA (0.51) LMNAHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL16712924 0.84 PDE4D (0.54) LMNAMAPTSMPD1ERN1HDAC8
SCHEMBL16712929 0.82 BACE1 (0.56) LMNAMAPTMEN1KMT2AATM
SCHEMBL28657616 0.81 HSD17B2 (0.56) POLBLMNAMAPTHDAC1HDAC8
SCHEMBL5944267 0.78 HDAC8 (0.61) LMNASMPD1HDAC1HDAC8HDAC6
SCHEMBL6934114 0.78 HSP90AA1 (0.58) LMNAMAPTERN1HDAC8ALDH1A1
SCHEMBL30446783 0.76 TAS1R3 (0.52) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL1191273 0.76 TAS1R3 (0.52) LMNAMAPTSMN1; SMN2KDM4EMEN1

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-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 — — US disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 — — 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-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P POLB 1971/4885LMNA 1927/4885MAPT 1299/4885

“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.

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