SCHEMBL120396

SCHEMBL120396

ClCc1noc(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.68
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
MAPT P10636 2/20 0.60
PKM P14618 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.57
NR1H4 Q96RI1 3/20 0.57
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
TP53 P04637 2/20 0.46
HDAC1 Q13547 1/20 0.45

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
SCHEMBL12071899 0.83 L3MBTL1 (0.57) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15742312 0.83 NOTUM (0.53) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7810523 0.83 NOTUM (0.72) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1696225 0.83 NPC1 (0.53) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21776935 0.82 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL24988605 0.81 NOTUM (0.51) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14273303 0.81 NOTUM (0.56) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1545207 0.81 NOTUM (0.51) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL514236 0.81 RAB9A (0.57) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1544834 0.81 NPC1 (0.55) NOTUMNPC1RAB9ASMN1; SMN2MAPT

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 253 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051380-A1 SUBSTITUTED UREA-OCTAHYDROINDOLS AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO claimed
US-11584755-B2 Dihydrothieno[3,2-b]pyridine compounds IDEAYA BIOSCIENCES, INC. (US) 2023-02-21 US disclosed
CN-104685416-B Photosensitive polymer combination, using its cured film preparation method, cured film, liquid crystal display device and organic EL display device 富士胶片株式会社 2019-05-14 CN disclosed
WO-2019067442-A1 DIHYDROTHIENO[3,2-b]PYRIDINE COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2019-04-04 WO disclosed
US-10240084-B2 Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications MOLECULAR GLASSES, INC. (US) 2019-03-26 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-20180016275-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS (GPR84 ANTAGONISTS) GALAPAGOS NV (BE) 2018-01-18 US disclosed
CN-104870445-B New dihydro-pyrimidin and isobioquin group and its pharmaceutical composition (GPR84 antagonists) for treating inflammatory disease 加拉帕戈斯股份有限公司 2017-09-15 CN disclosed
US-9708312-B2 Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders (GPR84 antagonists) GALAPAGOS NV (BE) 2017-07-18 US disclosed
EP-2470514-B1 PSEUDO-DIPEPTIDES AS MMP INHIBITORS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-12 EP disclosed
US-5665719-A Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 1997-09-09 US disclosed
EP-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
EP-0714299-A4 1996-07-10 EP disclosed
EP-0714299-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
US-5496833-A BRONCHODILATOR, ANTIINFLAMMATORY, ANTIARTHRITIC, ANALGESIC, AND ANTIMIGRAINE AGENTS MERCK SHARP & DOHME LIMITED (GB) 1996-03-05 US disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
US-5444074-A Treating diseases associated with excess of substance P MERCK SHARP & DOHME LIMITED (GB) 1995-08-22 US disclosed
WO-1995002405-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 WO disclosed
WO-1993021181-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1993-10-28 WO disclosed
US-4028377-A PESTICIDES, INSECTICIDES, MITICIDES CIBA-GEIGY CORPORATION (US) 1977-06-07 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-11584755-B2 Dihydrothieno[3,2-b]pyridine compounds DHFR, CYC1, CYCS NOTUM 4542/4885NPC1 889/4885RAB9A 877/4885
US-20180016275-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS (GPR84 ANTAGONISTS) GPR84, GPR88, GPR65 NOTUM 4597/4885NPC1 2436/4885RAB9A 732/4885

“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.