SCHEMBL17620577

SCHEMBL17620577

Nc1ccccc1-c1cc2ccccn2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 4/20 0.46
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.39
GRM5 P41594 3/20 0.35
GAA P10253 2/20 0.34
DHFR P00374 1/20 0.34
BRD4 O60885 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1646529 0.79 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1645632 0.79 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29753975 0.79 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30088582 0.79 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3886932 0.79 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1849443 0.79 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22449452 0.78 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17620573 0.78 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1853028 0.76 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3891998 0.76 HRH3 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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 7 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
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 ALDH1A1 4405/4885NPC1 1024/4885RAB9A 3363/4885
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 ALDH1A1 1709/4885NPC1 293/4885RAB9A 1481/4885

“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.