SCHEMBL438248

SCHEMBL438248

NOCc1ccc(CON)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 0.78
AGXT P21549 11/20 0.74
CYP3A4 P08684 2/20 0.74

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
SCHEMBL6340074 0.88 IDO1 (1.00) IDO1AGXTCYP3A4
SCHEMBL12838403 0.88 IDO1 (0.64) IDO1AGXTCYP3A4
SCHEMBL5912621 0.88 IDO1 (0.64) IDO1AGXTCYP3A4
Hydrochloric Acid SCHEMBL17289457 0.86 IDO1 (0.65) IDO1AGXTCYP3A4
SCHEMBL3154601 0.86 AGXT (1.00) IDO1AGXTCYP3A4
SCHEMBL1714667 0.86 IDO1 (1.00) IDO1AGXTCYP3A4
SCHEMBL16888566 0.86 IDO1 (0.61) IDO1AGXTCYP3A4
SCHEMBL13372043 0.86 IDO1 (0.61) IDO1AGXTCYP3A4
SCHEMBL1714959 0.86 AGXT (0.65) IDO1AGXTCYP3A4
SCHEMBL1715735 0.86 IDO1 (0.68) IDO1AGXTCYP3A4

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022040110-A2 ALKYLATING AGENT AND COMBINATIONS IN THE TREATMENT OF IMMUNE-RELATED AND LIVER DISEASES, ALZHEIMER'S DISEASES AND FIBROSIS DISEASES LIU SHENG (US) 2022-02-24 WO claimed
US-10725042-B2 Methods of diagnosing and treating cancer CASE WESTERN RESERVE UNIVERSITY (US) 2020-07-28 US claimed
US-10722530-B2 Methods of diagnosing and treating cancer CASE WESTERN RESERVE UNIVERSITY (US) 2020-07-28 US claimed
US-20180185403-A1 METHODS OF DIAGNOSING AND TREATING CANCER CASE WESTERN RESERVE UNIVERSITY 2018-07-05 US claimed
US-20170071965-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNIV CASE WESTERN RESERVE (US) 2017-03-16 US claimed
US-9498489-B2 Antimetabolite agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2016-11-22 US claimed
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US claimed
US-20140066464-A1 METHODS OF DIAGNOSING AND TREATING CANCER CASE WESTERN RESERVE UNIVERSITY (US) 2014-03-06 US claimed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP claimed
US-8324282-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-04 US claimed
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER GERSON STANTON L (US) 2012-03-15 US claimed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US claimed
US-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER CASE WESTERN RESERVE UNIVERSITY 2010-10-21 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
WO-2022040110-A2 ALKYLATING AGENT AND COMBINATIONS IN THE TREATMENT OF IMMUNE-RELATED AND LIVER DISEASES, ALZHEIMER'S DISEASES AND FIBROSIS DISEASES LIU SHENG (US) 2022-02-24 WO disclosed
US-10722530-B2 Methods of diagnosing and treating cancer CASE WESTERN RESERVE UNIVERSITY (US) 2020-07-28 US disclosed
US-20060241186-A1 Alkylating agent combinations in the treatment of cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-26 US disclosed
WO-2003070234-A9 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNIV CASE WESTERN RESERVE (US) 2004-02-26 WO disclosed
WO-2003070234-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER CASE WESTERN RESERVE UNIVERSITY (US) 2003-08-28 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 (9 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-20060241186-A1 Alkylating agent combinations in the treatment of cancer UNG, TOP2A, OGG1 IDO1 4025/4885AGXT 2638/4885CYP3A4 4711/4885
US-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER DNASE1, DNASE1L3, UNG IDO1 2814/4885AGXT 779/4885CYP3A4 2579/4885
US-10722530-B2 Methods of diagnosing and treating cancer UNG, TP53, OGG1 IDO1 3106/4885AGXT 842/4885CYP3A4 2424/4885
US-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885AGXT 365/4885CYP3A4 413/4885
US-20140066464-A1 METHODS OF DIAGNOSING AND TREATING CANCER UNG, NTPCR, GUSB IDO1 2941/4885AGXT 1246/4885CYP3A4 2112/4885
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNG, TOP2A, OGG1 IDO1 4025/4885AGXT 2638/4885CYP3A4 4711/4885
US-20180185403-A1 METHODS OF DIAGNOSING AND TREATING CANCER UNG, TP53, OGG1 IDO1 3106/4885AGXT 842/4885CYP3A4 2424/4885
US-20170071965-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER DNASE1, DNASE1L3, UNG IDO1 2814/4885AGXT 779/4885CYP3A4 2579/4885
US-10725042-B2 Methods of diagnosing and treating cancer UNG, NTPCR, GUSB IDO1 2941/4885AGXT 1246/4885CYP3A4 2112/4885

“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.