SCHEMBL486382

SCHEMBL486382

CCCCNC(=O)c1ccccc1C

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.80
HTT P42858 1/20 0.80
HPGD P15428 7/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
NAAA Q02083 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.57
HDAC3 O15379 1/20 0.54
HCRTR1 O43613 1/20 0.54

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
SCHEMBL10330496 0.95 TSHR (0.72) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL11291380 0.93 NAAA (0.72) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL13293962 0.93 NAAA (0.72) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL13310254 0.93 NAAA (0.72) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL8205304 0.93 NAAA (0.72) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL9492896 0.89 HPGD (0.77) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL461599 0.89 HPGD (0.64) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL31686014 0.89 HPGD (0.64) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL19210845 0.89 TSHR (1.00) TSHRHTTHPGDSMN1; SMN2NAAA
SCHEMBL13162414 0.86 HPGD (0.69) TSHRHTTHPGDSMN1; 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011307-A1 LATENT, HEAT-CURABLE EPOXY RESIN COMPOSITIONS CONTAINING METAL CARBOXYLATE CURING SYSTEMS HENKEL RESEARCH CORPORATION (US) 1992-07-09 WO claimed
EP-3919466-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS Yeda Research and Development Co. Ltd (IL) 2021-12-08 EP disclosed
WO-2021068773-A1 GROUP OF TETRAHYDROINDOLOQUINAZOLINE COMPOUNDS AND USE THEREOF 中国医学科学院医药生物技术研究所 2021-04-15 WO disclosed
WO-2020027304-A1 NOVEL CAROTENOID-RELATED DERIVATIVES, AND SALTS, ESTERS, OR AMIDES THEREOF アスタファーマシューティカルズ株式会社 2020-02-06 WO disclosed
EP-3039155-B1 MOLECULE DETECTION USING BORONIC ACID SUBSTITUTED PROBES ONTERA INC (US) 2019-10-09 EP disclosed
WO-2015031399-A1 MOLECULE DETECTION USING BORONIC ACID SUBSTITUTED PROBES Two Pore Guys, Inc. (US) 2015-03-05 WO disclosed
US-8816070-B2 Triazole derivative as an HSP 90 inhibitor MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
EP-2411384-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2012-02-01 EP disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
WO-2010108733-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-09-30 WO disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-20100113542-A1 TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR MERCK PATENT GESELLSCHAFT (DE) 2010-05-06 US disclosed
CN-1202106-A Selective beta 3 adrenergic agonists LILLY CO ELI (US) 1998-12-16 CN disclosed
US-5017686-A Production of aromatic polyamide using a fused ring stabilizer HUELS AKTIENGESELLSCHAFT (DE) 1991-05-21 US disclosed
US-5015680-A Production of a thermoplastically processable, aromatic polyamide using a 4-phenoxypyridine stabilizer HUELS AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
US-4952662-A Molding compounds comprising a thermoplastically processible, aromatic polyamide Huels Aktiengaellscaft (DE) 1990-08-28 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 (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-20100113542-A1 TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR HSP90AB1, HSP90AB2P, HSP90AA1 TSHR 3499/4885HTT 337/4885HPGD 959/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 TSHR 1097/4885HTT 3933/4885HPGD 1224/4885

“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.