SCHEMBL6539281

SCHEMBL6539281

COc1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)s2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 5/20 0.75
CSNK2A1 P68400 5/20 0.75
NR1H4 Q96RI1 1/20 0.66
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
MAPT P10636 3/20 0.60
CSNK2B P67870 1/20 0.59
FFAR1 O14842 1/20 0.58
CHEK1 O14757 1/20 0.57
TP53 P04637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
DDX3X O00571 1/20 0.56

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
SCHEMBL11599027 0.86 CSNK2A2 (0.76) CSNK2A2CSNK2A1NR1H4CSNK2B
SCHEMBL14646221 0.86 CSNK2A2 (0.76) CSNK2A2CSNK2A1NR1H4CSNK2B
SCHEMBL6539013 0.86 CA1 (0.66) CSNK2A2CSNK2A1CA1CA2NPC1
SCHEMBL11524897 0.86 RAB9A (0.58) CSNK2A2CSNK2A1NR1H4CA1CA2
SCHEMBL6663651 0.84 KDM4E (0.75) CSNK2A2CSNK2A1CA1CA2NPC1
SCHEMBL8840134 0.84 RAB9A (0.60) CSNK2A2CSNK2A1CA1CA2NPC1
SCHEMBL2043183 0.82 CA1 (0.87) CA1CA2NPC1RAB9AKDM4E
SCHEMBL17656010 0.81 CSNK2A2 (0.69) CSNK2A2CSNK2A1NR1H4NPC1RAB9A
SCHEMBL6539365 0.81 NR1H4 (0.70) CSNK2A2CSNK2A1NR1H4RAB9AMAPT
Hydrochloric Acid SCHEMBL6705880 0.81 CA1 (0.83) CA1CA2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA CSNK2A2 2610/4885CSNK2A1 1900/4885NR1H4 3597/4885

“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.