SCHEMBL1703751

SCHEMBL1703751

Cc1ccccc1NC(=O)c1ccsc1NC(=O)CCl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
HPGD P15428 7/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPK8 P45983 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 2/20 0.47
MAPK10 P53779 1/20 0.46
MAPT P10636 3/20 0.44
ALOX12 P18054 1/20 0.44
GFER P55789 1/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3803506 0.86 HPGD (0.55) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL1703368 0.82 HPGD (0.49) ALDH1A1HPGDLMNAHTTMAPK1
SCHEMBL1259621 0.81 ALDH1A1 (0.57) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL2188873 0.80 HPGD (0.66) ALDH1A1HPGDLMNAHTTKDM4E
Ethane SCHEMBL27894939 0.78 HPGD (0.64) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL12894816 0.76 HTT (0.47) ALDH1A1HPGDLMNAHTTKDM4E
Hydrochloric Acid SCHEMBL1703863 0.75 ALDH1A1 (0.55) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL10741969 0.74 PTPN2 (0.64) ALDH1A1HPGDLMNAHTTHSD17B10
SCHEMBL13789666 0.73 KMT2A (0.63) ALDH1A1HTTKDM4ESMN1; SMN2NPC1
SCHEMBL24488916 0.72 PTK2 (0.70) ALDH1A1HSD17B10MAPK8SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441768-A1 Thienopyrimidinones for treatment of inflammatory disorders and cancers Eli Lilly & Co. (US) 2012-04-18 EP disclosed
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 US disclosed
EP-2097422-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS Eli Lilly & Co. (US) 2009-09-09 EP disclosed
WO-2008064018-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ELI LILLY & CO. (US) 2008-05-29 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 (1 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-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS PIK3CA, PIK3CD, PIK3CB ALDH1A1 1821/4885HPGD 1395/4885LMNA 4519/4885

“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.