SCHEMBL1872555

SCHEMBL1872555

[S]c1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ MASP2 O00187 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NUDT1 P36639 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ AOC3 Q16853 1/20 0.56
▸ GAA P10253 3/20 0.52
▸ POLB P06746 3/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ DDAH1 O94760 1/20 0.50
▸ NSD2 O96028 1/20 0.48

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
SCHEMBL58001 1.00 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL30634854 0.75 NPC1 (1.00) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL30561047 0.75 NPC1 (1.00) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL172216 0.75 NPC1 (1.00) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL29034384 0.73 ALDH1A1 (0.62) ALDH1A1KDM4ENPC1RAB9ANPSR1
Water SCHEMBL9817804 0.73 NPC1 (0.95) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL2706718 0.71 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL277761 0.71 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL460600 0.71 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL2589250 0.71 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996574-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-12-03 — — EP claimed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 — — US claimed
WO-2007103554-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 — — WO claimed
EP-0749419-A1 OXIME DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 1996-12-27 — — EP claimed
WO-1995024383-A1 OXIME DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-09-14 — — WO claimed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 — — EP claimed
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 — — EP claimed
EP-0096795-A2 N-aryl pyridones, their preparation and use BAYER AG (DE) 1983-12-28 — — EP claimed
EP-0029202-B1 NOVEL TETRAZOLE-5-THIOL ESTERS AND PROCESS FOR PREPARING CEFAMANDOLE USING SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-04-13 — — EP claimed
JP-56073086-A — — None — — JP disclosed
EP-3901235-B1 ORGANIC ELECTROLUMINESCENT DEVICES AND METAL COMPLEX COMPOUNDS UDC IRELAND LTD (IE) 2023-11-15 — — EP disclosed
EP-3741768-B1 STABILIZED IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORP (US) 2022-12-07 — — EP disclosed
US-11393989-B2 Organic electroluminescent devices and metal complex compounds UDC IRELAND LIMITED (IE) 2022-07-19 — — US disclosed
EP-3901235-A1 ORGANIC ELECTROLUMINESCENT DEVICES AND METAL COMPLEX COMPOUNDS UDC Ireland Limited (IE) 2021-10-27 — — EP disclosed
EP-0096795-A2 N-aryl pyridones, their preparation and use BAYER AG (DE) 1983-12-28 — — EP disclosed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 — — EP disclosed
US-4410618-A DEVELOPMENT INHIBITORS EASTMAN KODAK COMPANY (US) 1983-10-18 — — US disclosed
EP-0076452-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-04-13 — — EP disclosed
EP-0070803-A2 Antibiotically active aminotriazolylcephalosporin derivatives and their preparation CIBA-GEIGY AG (CH) 1983-01-26 — — EP disclosed
JP-S5673086-A PREPARATION OF CEPHALOSPORIN COMPOUND ASAHI CHEM IND CO LTD 1981-06-17 — — JP 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-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE10A, PDE4A ALDH1A1 716/4885KDM4E 1286/4885NPC1 2604/4885
US-11393989-B2 Organic electroluminescent devices and metal complex compounds EPCAM, TPR, L1CAM ALDH1A1 2524/4885KDM4E 1698/4885NPC1 4260/4885

“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.

Send feedback