SCHEMBL10013613

SCHEMBL10013613

CC(NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
GPR139 Q6DWJ6 1/20 0.64
ROCK2 O75116 1/20 0.58
RPS6KA5 O75582 1/20 0.58
MAP4K4 O95819 1/20 0.58
CDK1 P06493 1/20 0.58
CSF1R P07333 1/20 0.58
PRKACA P17612 1/20 0.58
FLT1 P17948 1/20 0.58
RPS6KB1 P23443 1/20 0.58
CDK2 P24941 1/20 0.58
MAPK1 P28482 1/20 0.58
AKT1 P31749 1/20 0.58
FLT4 P35916 1/20 0.58
KDR P35968 1/20 0.58
FLT3 P36888 1/20 0.58

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
SCHEMBL5642702 0.83 MEN1 (0.71) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL3755191 0.81 MEN1 (0.67) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2950147 0.81 MEN1 (0.67) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2413088 0.80 ROCK2 (0.68) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5002947 0.80 ALDH1A1 (0.68) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL8191196 0.80 MEN1 (0.66) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5002951 0.80 ALDH1A1 (0.68) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL10323215 0.80 MEN1 (0.66) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL10324474 0.80 MEN1 (0.66) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL10323266 0.77 MEN1 (0.63) CYP1A2CYP2C9CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS REGENTS OF THE UNIVERSITY OF MINNESOTA 2012-06-07 US disclosed
US-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS REGENTS OF THE UNIVERSITY OF MINNESOTA 2012-06-07 US disclosed
US-20090176870-A1 TGF-BETA MODULATORS AND METHODS FOR USING THE SAME MARSHFIELD CLINIC (US) 2009-07-09 US disclosed
US-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS MED. COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2009-06-18 US disclosed
US-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS MED. COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2009-06-18 US disclosed
WO-2007081878-A2 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2007-07-19 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 (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-20090155311-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS IDO2, IDO1, INMT CYP1A2 210/4885CYP2C9 871/4885CYP2C19 1198/4885
US-20090176870-A1 TGF-BETA MODULATORS AND METHODS FOR USING THE SAME TGFBR1, TGFBR2, SMAD3 CYP1A2 2400/4885CYP2C9 2989/4885CYP2C19 3783/4885
US-20120142750-A1 INDOLEAMINE 2,3-DIOXYGENASE PATHWAYS IN THE GENERATION OF REGULATORY T CELLS IDO2, IDO1, INMT CYP1A2 210/4885CYP2C9 871/4885CYP2C19 1198/4885

“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.