SCHEMBL17620582

SCHEMBL17620582

O=[N+]([O-])c1ccc(-c2nc3ccccc3c3cc4ccccn4c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 1/20 0.47
▸ CFTR P13569 1/20 0.47
▸ MAPT P10636 8/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TNKS O95271 1/20 0.44
▸ GUSB P08236 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ XBP1 P17861 1/20 0.43

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
SCHEMBL22449437 0.86 CFTR (0.41) CFTRMAPTKMT2AALDH1A1MEN1
SCHEMBL17620557 0.85 KDM4E (0.40) RAD51MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL17634380 0.83 ALDH1A1 (0.49) CFTRMAPTKMT2AALDH1A1MEN1
SCHEMBL17620574 0.82 ALDH1A1 (0.51) RAD51CFTRMAPTKMT2AALDH1A1
SCHEMBL22449433 0.82 MEN1 (0.49) RAD51KMT2AALDH1A1MEN1TNKS
SCHEMBL21656455 0.82 RAD51 (0.38) RAD51MAPTKMT2AALDH1A1MEN1
SCHEMBL22449438 0.82 RAD51 (0.50) RAD51MAPTKMT2AALDH1A1MEN1
SCHEMBL17620569 0.82 CYP19A1 (0.47) RAD51KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL17620578 0.82 TDP1 (0.49) MAPTALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL17620587 0.82 KDM4E (0.49) KMT2AALDH1A1MEN1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787448-B2 Indolizino [3,2-C] quinoline-based fluorescent probe SEOUL NATIONAL UNIVERSITY R & DB FOUNDATION (KR) 2020-09-29 — — US disclosed
WO-2017014601-A1 INDOLIZINO [3,2-C] QUINOLINE-BASED FLUORESCENT PROBE 서울대학교 산학협력단 2017-01-26 — — WO disclosed
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 — — US disclosed
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 — — US disclosed
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 — — US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 — — US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 — — US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 — — 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-10787448-B2 Indolizino [3,2-C] quinoline-based fluorescent probe DNA2, IRF3, DDB1 RAD51 1360/4885CFTR 4126/4885MAPT 1031/4885
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT CFTR, AQP3, AQP1 RAD51 4838/4885CFTR 1/4885MAPT 4884/4885

“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.

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