SCHEMBL3312926

SCHEMBL3312926

COc1ccc2nc(Cl)c(C3CC(c4ccc(OC)c(OC)c4)=NN3C(=O)c3ccco3)cc2c1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XBP1 P17861 1/20 0.76
KMT2A Q03164 3/20 0.65
MEN1 O00255 1/20 0.65
RAB9A P51151 1/20 0.65
POLB P06746 4/20 0.58
PKM P14618 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.48
EGFR P00533 1/20 0.47
BLM P54132 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL3316509 0.94 XBP1 (0.76) XBP1KMT2AMEN1RAB9APOLB
SCHEMBL3314306 0.87 KMT2A (0.63) XBP1KMT2AMEN1POLBPKM
SCHEMBL3314649 0.86 XBP1 (0.57) XBP1KMT2AMEN1RAB9APOLB
SCHEMBL3312183 0.84 POLB (0.59) XBP1POLBPKMRXFP1KDM4E
SCHEMBL23052464 0.81 KMT2A (0.78) XBP1KMT2AMEN1RAB9APOLB
SCHEMBL3314554 0.79 XBP1 (0.57) XBP1KMT2AMEN1RAB9APOLB
SCHEMBL3311133 0.79 MAOB (0.58) XBP1KMT2AMEN1RAB9APKM
SCHEMBL3314444 0.78 PKM (0.55) XBP1POLBPKMKDM4ELMNA
SCHEMBL20989162 0.77 KMT2A (0.78) KMT2AMEN1RAB9APOLBPKM
SCHEMBL3314961 0.77 XBP1 (0.60) XBP1KMT2APOLBPKMKDM4E

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 XBP1 2991/4885KMT2A 2514/4885MEN1 4750/4885

“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.