SCHEMBL3312183

SCHEMBL3312183

CCC(=O)N1N=C(c2ccc(OC)c(OC)c2)CC1c1cc2cc(OC)ccc2nc1Cl

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
BLM P54132 2/20 0.59
MAPT P10636 3/20 0.57
THRB P10828 1/20 0.57
PKM P14618 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
XBP1 P17861 1/20 0.52
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.50
YAP1 P46937 1/20 0.49
TEAD4 Q15561 1/20 0.49

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
SCHEMBL3314306 0.86 KMT2A (0.63) POLBBLMMAPTTHRBPKM
SCHEMBL3314649 0.85 XBP1 (0.57) POLBBLMMAPTTHRBPKM
SCHEMBL3318263 0.84 KDM4E (0.71) POLBBLMMAPTTHRBPKM
SCHEMBL3312926 0.84 XBP1 (0.76) POLBBLMMAPTPKMRXFP1
SCHEMBL3311133 0.83 MAOB (0.58) BLMMAPTPKMXBP1KDM4E
SCHEMBL3312789 0.83 KDM4E (0.65) POLBBLMMAPTTHRBPKM
SCHEMBL3314444 0.81 PKM (0.55) POLBBLMMAPTTHRBPKM
SCHEMBL3318087 0.80 KDM4E (0.63) POLBBLMMAPTTHRBPKM
SCHEMBL3314961 0.79 XBP1 (0.60) POLBPKMXBP1KDM4E
SCHEMBL3314554 0.78 XBP1 (0.57) POLBBLMMAPTPKMXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
WO-2008045663-A2 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTIINFLAMMATORY AGENTS KALYPSYS, INC. (US) 2008-04-17 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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C POLB 2448/4885BLM 2326/4885MAPT 4438/4885

“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.