SCHEMBL402229

SCHEMBL402229

Cc1cccc(CON)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 1.00
AGXT P21549 12/20 0.60
CYP3A4 P08684 2/20 0.59
TAAR1 Q96RJ0 1/20 0.55
MAOB P27338 1/20 0.53

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
Hydrochloric Acid SCHEMBL662679 0.98 IDO1 (1.00) IDO1AGXTCYP3A4TAAR1
SCHEMBL14218208 0.92 IDO1 (0.85) IDO1AGXTCYP3A4TAAR1MAOB
SCHEMBL437710 0.84 IDO1 (0.71) IDO1AGXTCYP3A4
SCHEMBL6667381 0.82 IDO1 (0.69) IDO1TAAR1MAOB
SCHEMBL30253988 0.80 IDO1 (0.67) IDO1TAAR1MAOB
SCHEMBL12379 0.80 IDO1 (0.67) IDO1TAAR1MAOB
SCHEMBL31712164 0.79 IDO1 (0.66) IDO1TAAR1MAOB
SCHEMBL1521252 0.79 AGXT (0.73) IDO1AGXTCYP3A4
SCHEMBL1145657 0.78 IDO1 (0.64) IDO1TAAR1MAOB
SCHEMBL11302792 0.78 IDO1 (0.64) IDO1TAAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP claimed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US claimed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
EP-4640688-A1 AVERMECTIN DERIVATIVE Meiji Seika Pharma Co., Ltd. (JP) 2025-10-29 EP disclosed
WO-2024135828-A1 AVERMECTIN DERIVATIVE Meiji Seikaファルマ株式会社 2024-06-27 WO disclosed
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP disclosed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP disclosed
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER GERSON STANTON L (US) 2012-03-15 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
WO-2007059116-A2 GELDANAMYCIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF ABRAXIS BIOSCIENCE, INC. (US) 2007-05-24 WO disclosed
CN-1218943-C 4-pyrimidinyl-N-acyl-L-phenylalanine compounds HOFFMANN LA ROCHE (CH) 2005-09-14 CN disclosed
WO-2005021606-A1 METHODS OF PRODUCING NUCLEOPHILIC POLYOLEFINS AND USES THEREOF HONEYWELL INTERNATIONAL INC. (US) 2005-03-10 WO disclosed
CN-1407972-A 4-pyrimidinyl-N-acyl-L-phenylalanine compounds HOFFMANN LA ROCHE (CH) 2003-04-02 CN 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 (4 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885AGXT 365/4885CYP3A4 413/4885
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNG, TOP2A, OGG1 IDO1 4025/4885AGXT 2638/4885CYP3A4 4711/4885
US-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 IDO1 2049/4885AGXT 2786/4885CYP3A4 500/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885AGXT 285/4885CYP3A4 499/4885

“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.