SCHEMBL14218921

SCHEMBL14218921

Cc1ccc(NN)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
ALOX15 P16050 2/20 0.54
CYP3A4 P08684 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 1/20 0.48
CA1 P00915 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
APP P05067 1/20 0.46
SLC6A4 P31645 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
HPGD P15428 1/20 0.36

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
SCHEMBL19724286 0.84 SMN1; SMN2 (0.52) TDP1ALOX15CYP3A4SMN1; SMN2TP53
SCHEMBL10140559 0.81 TDP1 (0.54) TDP1ALOX15CYP3A4SMN1; SMN2TP53
SCHEMBL7262816 0.81 TDP1 (0.54) TDP1ALOX15CYP3A4SMN1; SMN2TP53
SCHEMBL3648908 0.79 CA1 (0.50) TDP1ALOX15CYP3A4SMN1; SMN2TP53
SCHEMBL28043737 0.79 TDP1 (0.52) TDP1ALOX15CYP3A4SMN1; SMN2TP53
SCHEMBL28824433 0.79 TDP1 (0.52) TDP1ALOX15CYP3A4SMN1; SMN2TP53
SCHEMBL29401670 0.78 RAPGEF4 (0.56) TDP1SMN1; SMN2TP53ALDH1A1HDAC6
SCHEMBL1010790 0.78 RAPGEF4 (0.56) TDP1SMN1; SMN2TP53ALDH1A1HDAC6
Hydrochloric Acid SCHEMBL1395040 0.77 CA1 (0.48) TDP1ALOX15CYP3A4SMN1; SMN2TP53
SCHEMBL12824304 0.77 TDP1 (0.50) TDP1ALOX15CYP3A4SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213084-A1 1,3,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS FUNDACIÓN KERTOR (ES) 2022-07-07 US disclosed
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 EP disclosed
WO-2021057696-A1 HETEROARYL COMPOUND AND APPLICATION THEREOF 隆泰申医药科技(南京)有限公司 2021-04-01 WO disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
EP-2930170-B1 PYRIDONE COMPOUND FOR USE IN THE TREATMENT OF DERMATOLOGICAL DISORDERS KYOWA KIRIN CO LTD (JP) 2020-02-05 EP disclosed
EP-3511330-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed
WO-2019037678-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海迪诺医药科技有限公司 2019-02-28 WO disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
WO-2017147137-A1 BENZOIC ACID DERIVATIVES OF BILE ACID AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2017-08-31 WO disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
CN-105001225-A Heterocyclic modulators of lipid synthesis 3 V BIOSCIENCES INC 2015-10-28 CN disclosed
CN-103561576-B Heterocyclic modulators of lipid synthesis 3 V BIOSCIENCES INC 2015-07-22 CN disclosed
CN-103561576-A Heterocyclic modulators of lipid synthesis 3 V BIOSCIENCES INC 2014-02-05 CN disclosed
EP-2581849-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2013-04-17 EP disclosed
WO-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO disclosed
CN-1184469-A 1-phenyl-3-pyrazolecarboxamides active on neurotensin receptors SANOFI SA (FR) 1998-06-10 CN 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-20220213084-A1 1,3,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC6, HDAC1, HDAC3 TDP1 1324/4885ALOX15 4576/4885CYP3A4 3861/4885

“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.