SCHEMBL12858012

SCHEMBL12858012

[C-]#[N+]c1ccc(C(=O)O)nc1Sc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ CTRC Q99895 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.35
▸ TERT O14746 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ IGFBP3 P17936 1/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RHEB Q15382 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL12857772 0.80 HTT (0.43) MEN1KMT2ACYP2C9CYP2C19RHEB
SCHEMBL12857411 0.77 KDM4E (0.40) HAO1MEN1KMT2AKDM4ECYP2C9
SCHEMBL1142771 0.75 MAOA (0.48) HAO1MEN1CRHBPKMT2ACRHR2
SCHEMBL12857756 0.74 KDM4E (0.42) MEN1KMT2AKDM4EMRGPRX4HSD17B10
SCHEMBL12857758 0.74 KDM4E (0.36) MEN1KMT2AKDM4EALDH1A1
SCHEMBL12857771 0.70 KMT2A (0.51) MEN1KMT2ACYP2C19ALDH1A1CYP1A2
SCHEMBL12857837 0.69 PPARG (0.47) CYP2C9ALDH1A1HPGD
SCHEMBL12858084 0.69 KMT2A (0.40) KMT2AKDM4EALDH1A1HPGD
SCHEMBL12858077 0.67 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1
SCHEMBL12857773 0.67 SMN1; SMN2 (0.48) MEN1KMT2AKDM4ECYP2C9CYP2C19

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-9340505-B2 Type III secretion inhibitors, analogs and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2016-05-17 — — US disclosed
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-10-30 — — US disclosed
US-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — 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 (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-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 HAO1 2081/4885MEN1 1125/4885CRHBP 1602/4885
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 HAO1 2081/4885MEN1 1125/4885CRHBP 1602/4885

“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.

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