SCHEMBL527950

SCHEMBL527950

Clc1ccc2cc3c(cc2n1)OCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 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
SCHEMBL3972286 0.89 RPS6KB2 (0.40) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL527216 0.73 ALDH1A1 (0.40) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL8223252 0.72 PTPN1 (0.44) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2359770 0.70 PDGFRB (0.41) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL9678264 0.69 ESR2 (0.58) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL11083139 0.69 NPC1 (0.47) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL30250019 0.67 CYP3A4 (0.57) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL10638685 0.67 ALDH1A1 (0.57) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL10635467 0.67 CYP3A4 (0.57) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL25284715 0.67 KDM4E (0.38) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015901-A1 METHODS FOR TREATING GASTRIC AND PANCREATIC MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 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 (2 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 KDM4E 1574/4885ALDH1A1 2719/4885MAPT 2646/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 KDM4E 1574/4885ALDH1A1 2719/4885MAPT 2646/4885

“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.