SCHEMBL17620573

SCHEMBL17620573

Nc1ccccc1-c1cc2ccc(Br)cn2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 1/20 0.35
PIK3CG P48736 1/20 0.34
GRM5 P41594 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 1/20 0.32
DHFR P00374 1/20 0.32
NPC1 O15118 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
BRD4 O60885 1/20 0.30
NR1I2 O75469 1/20 0.30

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
SCHEMBL22449452 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10L3MBTL1GRM5MEN1
SCHEMBL17620577 0.78 ALDH1A1 (0.51) ALDH1A1HSD17B10L3MBTL1GRM5MEN1
SCHEMBL17620563 0.75 ALDH1A1 (0.49) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL918265 0.70 ALDH1A1 (0.65) ALDH1A1HSD17B10L3MBTL1MEN1KMT2A
SCHEMBL29568495 0.69 ALDH1A1 (0.56) ALDH1A1HSD17B10L3MBTL1MEN1KMT2A
SCHEMBL2332768 0.66 ALDH1A1 (0.58) ALDH1A1HSD17B10L3MBTL1MEN1KMT2A
SCHEMBL29520503 0.65 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1RAB9ADHFR
SCHEMBL5671941 0.65 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1RAB9ADHFR
SCHEMBL11728230 0.65 ALDH1A1 (0.59) ALDH1A1HSD17B10L3MBTL1MEN1KMT2A
SCHEMBL17620570 0.64 ALDH1A1 (0.55) ALDH1A1HSD17B10L3MBTL1GRM5MAPT

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 4405/4885HSD17B10 4311/4885L3MBTL1 3382/4885
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 1709/4885HSD17B10 2678/4885L3MBTL1 4761/4885

“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.