SCHEMBL3277728

SCHEMBL3277728

Nc1ccccc1-c1nnn[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
IDO1 P14902 4/20 0.52
DCUN1D1 Q96GG9 1/20 0.46
KDM4E B2RXH2 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
GAA P10253 4/20 0.44
RAB9A P51151 4/20 0.44
HSD17B10 Q99714 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA3 P0DMS8 2/20 0.39

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
SCHEMBL30940314 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1IDO1DCUN1D1KDM4E
SCHEMBL12615990 0.85 ALDH1A1 (0.38) ALDH1A1L3MBTL1IDO1DCUN1D1GAA
SCHEMBL11146024 0.85 ALDH1A1 (0.38) ALDH1A1L3MBTL1IDO1DCUN1D1KDM4E
SCHEMBL12310844 0.82 ALDH1A1 (0.35) ALDH1A1L3MBTL1IDO1DCUN1D1KDM4E
SCHEMBL9128756 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1IDO1KDM4ESMN1; SMN2
SCHEMBL8035241 0.78 KDR (0.41) ALDH1A1DCUN1D1KDM4ENPC1SMN1; SMN2
SCHEMBL21856971 0.78 KDM4E (0.42) ALDH1A1L3MBTL1KDM4ENPC1SMN1; SMN2
SCHEMBL13404775 0.78 JAK2 (0.41) ALDH1A1KDM4ENPC1SMN1; SMN2GAA
SCHEMBL6919819 0.77 DPP4 (0.47) ALDH1A1L3MBTL1IDO1
SCHEMBL23161505 0.76 MEN1 (0.36) ALDH1A1L3MBTL1IDO1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57046971-A None JP disclosed
JP-57171983-A None JP disclosed
JP-57011975-A None JP disclosed
JP-56040673-A None JP disclosed
US-20240402603-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE ELEMENT, AND METHOD FOR PRODUCING LAYERED BODY RESONAC CORPORATION (JP) 2024-12-05 US disclosed
US-20240368131-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2024-11-07 US disclosed
US-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 US disclosed
CN-117980821-A Photosensitive resin composition, photosensitive element, and method for producing laminate 株式会社力森诺科 2024-05-03 CN disclosed
WO-2023190719-A1 RESIN COMPOSITION, CURED PRODUCT, MULTILAYER BODY, TRANSPARENT ANTENNA AND IMAGE DISPLAY DEVICE 株式会社レゾナック 2023-10-05 WO disclosed
US-20230227439-A1 SPAK/OSR INHIBITORS AND METHODS OF USING SAME YALE UNIVERSITY 2023-07-20 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed
JP-S57171983-A AMINOPHENYLTETRAZOLE DERIVATIVE AND SALT THEREOF WAKAMOTO PHARMACEUT CO LTD 1982-10-22 JP disclosed
JP-S5746971-A AMINOPHENYLTETRAZOLE DERIVATIVE AND ITS SALT WAKAMOTO PHARMACEUT CO LTD 1982-03-17 JP disclosed
JP-S5711975-A AMINOPHENYLTETRAZOLE DERIVATIVE AND SALT THEREOF WAKAMOTO PHARMACEUT CO LTD 1982-01-21 JP disclosed
US-4286090-A BLOWING AGENTS; PROPELLANTS; EXPLOSIVES; IGNITERS THE DOW CHEMICAL COMPANY (US) 1981-08-25 US disclosed
US-4286090-A BLOWING AGENTS; PROPELLANTS; EXPLOSIVES; IGNITERS THE DOW CHEMICAL COMPANY (US) 1981-08-25 US disclosed
JP-S5640673-A AMINOPHENYLTETRAZOLE DERIVATIVE AND ITS SALT WAKAMOTO PHARMACEUT CO LTD 1981-04-16 JP disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-3835137-A FIBRINOLYTIC TETRAZOLO(1,5-C)QUINAZOLINES DOW CHEMICAL CO 1974-09-10 US disclosed
US-3835138-A BRONCHODILATOR 5,6-DIHYDRO-TETRAZOLO(1,5-C) QUINAZOLINES DOW CHEMICAL CO 1974-09-10 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-20240368131-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NLRP3, NLRP1, NOD1 ALDH1A1 4026/4885L3MBTL1 2986/4885IDO1 1883/4885
US-20230227439-A1 SPAK/OSR INHIBITORS AND METHODS OF USING SAME OXSR1, VHL, TTK ALDH1A1 3184/4885L3MBTL1 1231/4885IDO1 4725/4885

“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.