SCHEMBL497811

SCHEMBL497811

C[S+]([O-])c1[nH]c2c(Cl)cc(Cl)cc2c(=O)c1C(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.47
CTSL P07711 4/20 0.47
CTSB P07858 4/20 0.47
CTSH P09668 2/20 0.47
CTSD P07339 1/20 0.47
LIN28A Q9H9Z2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3319283 0.81 CAPN1 (0.38) CAPN1CTSLCTSBCTSHCTSD
SCHEMBL497135 0.80 CAPN1 (0.60) CAPN1CTSLCTSBCTSHCTSD
SCHEMBL497311 0.76 CAPN1 (0.51) CAPN1CTSLCTSBCTSHCTSD
SCHEMBL3324591 0.71 CAPN1 (0.62) CAPN1CTSLCTSBCTSHCTSD
SCHEMBL11610676 0.65 KDM4E (0.55) CYP1A2CYP3A4CYP2C9CYP2C19ALOX15
SCHEMBL4311940 0.61 KDM4E (0.66) CYP1A2CYP3A4CYP2C9CYP2C19ALOX15
SCHEMBL29822237 0.61 KDM4E (0.66) CYP1A2CYP3A4CYP2C9CYP2C19ALOX15
SCHEMBL3200159 0.61 KCNMA1 (0.72) CYP1A2CYP3A4CYP2C9CYP2C19ALOX15
SCHEMBL5471126 0.61 RAB9A (0.65) MEN1MAPTKMT2AKDM4ENPC1
SCHEMBL12919798 0.61 RAB9A (0.56) CYP1A2CYP3A4CYP2C9CYP2C19ALOX15

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
US-8106071-B2 Compositions for treating hyperproliferative vascular disorders and cancers BIOBUD CO., LTD. (KR) 2012-01-31 US disclosed
US-8106071-B2 Compositions for treating hyperproliferative vascular disorders and cancers BIOBUD CO., LTD. (KR) 2012-01-31 US disclosed
US-8106071-B2 Compositions for treating hyperproliferative vascular disorders and cancers BIOBUD CO., LTD. (KR) 2012-01-31 US disclosed
US-20100120849-A1 Compositions for Treating Hyperproliferative Vascular Disorders and Cancers BIOBUD CO., LTD (KR) 2010-05-13 US disclosed
US-20100120849-A1 Compositions for Treating Hyperproliferative Vascular Disorders and Cancers BIOBUD CO., LTD (KR) 2010-05-13 US 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-20100120849-A1 Compositions for Treating Hyperproliferative Vascular Disorders and Cancers MKI67, MYLK, PCNA CAPN1 4329/4885CTSL 4783/4885CTSB 3153/4885

“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.