SCHEMBL401935

SCHEMBL401935

NOCc1cc(Cl)sc1Cl

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 19/20 0.45
AGXT P21549 6/20 0.37
CYP3A4 P08684 2/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL27682011 0.72 GSK3B (0.36) GSK3B
SCHEMBL11066703 0.71 IDO1 (0.41) IDO1AGXTCYP3A4
SCHEMBL1041647 0.70
SCHEMBL9030193 0.70 TAAR1 (0.41) GSK3B
SCHEMBL12299527 0.70 IDO1 (0.39) IDO1AGXTCYP3A4
SCHEMBL843790 0.69
SCHEMBL25306131 0.68 GSK3B (0.35) IDO1GSK3B
SCHEMBL11068073 0.67
SCHEMBL25307831 0.65 GSK3B (0.46) GSK3B
SCHEMBL25299694 0.65 MAOA (0.34) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9498489-B2 Antimetabolite agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2016-11-22 US disclosed
US-9498489-B2 Antimetabolite agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2016-11-22 US disclosed
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US disclosed
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US disclosed
US-8324282-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-04 US disclosed
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER GERSON STANTON L (US) 2012-03-15 US disclosed
US-8017618-B2 Administering antifolate anticancer agent and methoxyamine to enhance or increase the effect of the antifolate anticancer agent TRACON PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER CASE WESTERN RESERVE UNIVERSITY 2010-10-21 US disclosed
US-20080234298-A1 ANTIFOLATE AGENT COMBINATIONS IN THE TREATMENT OF CANCER TRACON PHARMACEUTICALS, INC. (US) 2008-09-25 US disclosed
US-4432786-A Thienylmethoxyiminoalkyl cyclohexanedione herbicides CHEVRON RESEARCH COMPANY (US) 1984-02-21 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 (3 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-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER DNASE1, DNASE1L3, UNG IDO1 2814/4885AGXT 779/4885CYP3A4 2579/4885
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNG, TOP2A, OGG1 IDO1 4025/4885AGXT 2638/4885CYP3A4 4711/4885
US-20080234298-A1 ANTIFOLATE AGENT COMBINATIONS IN THE TREATMENT OF CANCER FEN1, UNG, FOLR1 IDO1 3342/4885AGXT 550/4885CYP3A4 4517/4885

“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.