SCHEMBL4394401

SCHEMBL4394401

COc1cccc(-n2c(CCl)nc3ccccc3c2=O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.77
SMN1; SMN2 Q16637 2/20 0.70
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
TP53 P04637 2/20 0.59
GAA P10253 2/20 0.59
PSMD14 O00487 1/20 0.59
ALDH1A1 P00352 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CCKBR P32239 1/20 0.58
TSHR P16473 1/20 0.58
POLB P06746 2/20 0.57
MAPT P10636 3/20 0.57
GLA P06280 1/20 0.57
RAB9A P51151 1/20 0.57
THRB P10828 1/20 0.56

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
SCHEMBL4393425 0.88 ALDH1A1 (0.76) USP2KMT2AMEN1GAAALDH1A1
SCHEMBL4391268 0.85 PDE10A (0.65) USP2SMN1; SMN2KMT2AMEN1TP53
SCHEMBL4398491 0.85 ALDH1A1 (0.58) USP2SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL4394259 0.84 NPC1 (0.70) SMN1; SMN2KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL27574512 0.83 PDE10A (0.57) USP2SMN1; SMN2KMT2AMEN1TP53
SCHEMBL29154636 0.82 SMN1; SMN2 (1.00) USP2SMN1; SMN2KMT2AMEN1TP53
SCHEMBL30726095 0.82 SMN1; SMN2 (1.00) USP2SMN1; SMN2KMT2AMEN1TP53
SCHEMBL9670550 0.81 SMN1; SMN2 (0.74) USP2SMN1; SMN2KMT2AMEN1TP53
SCHEMBL12264960 0.80 ALDH1A1 (0.60) USP2KMT2AALDH1A1CCKBRMAPT
SCHEMBL4393410 0.78 PDE10A (0.63) SMN1; SMN2KMT2AMEN1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829014-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-09-09 US disclosed
EP-2007393-B1 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS UNIV LOUISIANA STATE (US) 2013-08-21 EP disclosed
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers GIORDANO ANTHONY (US) 2012-11-08 US disclosed
US-8217037-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers B.V. PATEL PHARMACEUTICAL EDUCATION & RESEARCH DEVELOPMENT (PERD) CENTRE (IN) 2009-12-10 US disclosed
EP-2007393-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 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 (2 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-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB USP2 3585/4885SMN1; SMN2 4250/4885KMT2A 2707/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB USP2 3585/4885SMN1; SMN2 4250/4885KMT2A 2707/4885

“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.