SCHEMBL7630593

SCHEMBL7630593

Nc1ccc2n[c]ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
CASP6 P55212 1/20 0.52
PLAU P00749 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ATM Q13315 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CASP1 P29466 2/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
F2 P00734 1/20 0.45
CHRM2 P08172 1/20 0.45

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
SCHEMBL1552052 0.75 ESR2 (0.44) KDM4EPLAUALDH1A1HSD17B10HTT
SCHEMBL407633 0.75 CYP1A2 (0.55) KDM4ELMNAALDH1A1MAPTKMT2A
SCHEMBL206393 0.75 BACE1 (0.47) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL208135 0.75 BACE1 (0.47) KDM4EALDH1A1MAPTHTTKMT2A
SCHEMBL5750277 0.72 LCK (0.44) KDM4EPLAUALDH1A1HSD17B10ATM
SCHEMBL5748489 0.71 CYP1A2 (0.42) KDM4ELMNAPOLBALDH1A1MAPT
SCHEMBL5748279 0.71 CYP2A6 (0.38) KDM4EPOLBALDH1A1MAPTHSD17B10
SCHEMBL2302785 0.71 SCN10A (0.39) ALDH1A1MAPTHSD17B10SMN1; SMN2KMT2A
SCHEMBL315256 0.71 NCF1 (0.51) KDM4ELMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL407917 0.71 BACE1 (0.51) KDM4EKCNH2HRH3DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001096529-A2 ACETYL GLUCOSAMINYL INOSITOL DEACETYLASE, A MYCOTHIOL BIOSYNTHETIC ENZYME, AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2001-12-20 WO claimed
EP-1252186-A2 USE OF NEUREGULIN-BETA AS AN INDICATOR AND/OR TARGET ProteoSys AG (DE) 2002-10-30 EP disclosed
US-20020119938-A1 Macrolide antiinfective agents CHU DANIEL (US) 2002-08-29 US disclosed
WO-2001058948-A2 USE OF NEUREGULIN-β AS AN INDICATOR AND/OR TARGET PROTEOSYS AG (DE) 2001-08-16 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-20020119938-A1 Macrolide antiinfective agents MLNR, DOHH, NOP2 KDM4E 1780/4885LMNA 1595/4885POLB 2675/4885

“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.