SCHEMBL130198

SCHEMBL130198

Nc1nc(-c2ccncc2)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
RAB9A P51151 7/20 0.64
NPC1 O15118 7/20 0.64
MAPT P10636 6/20 0.64
LTA4H P09960 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
KDM4E B2RXH2 4/20 0.64
KMT2A Q03164 2/20 0.64
CYP3A4 P08684 2/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
LMNA P02545 2/20 0.64
MEN1 O00255 1/20 0.64
MKNK1 Q9BUB5 1/20 0.64
MKNK2 Q9HBH9 1/20 0.64
ALOX5 P09917 1/20 0.64
POLB P06746 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.56
AR P10275 2/20 0.55

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
Bromide SCHEMBL3252601 0.98 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1MAPTLTA4H
Bromide SCHEMBL6958062 0.98 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL1771825 0.88 ALDH1A1 (0.79) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL23610361 0.86 ALDH1A1 (0.83) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL30313636 0.83 ALDH1A1 (0.63) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL12305059 0.83 ALDH1A1 (0.63) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL44869 0.82 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL172279 0.82 ALDH1A1 (0.70) ALDH1A1RAB9ANPC1MAPTLTA4H
Iodide SCHEMBL6175053 0.80 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1MAPTLTA4H
Bromide SCHEMBL7128948 0.80 ALDH1A1 (0.96) ALDH1A1RAB9ANPC1MAPTLTA4H

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
EP-3259256-A1 COMPOUNDS AND METHODS FOR INDUCING BROWNING OF WHITE ADIPOSE TISSUE Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences (CN) 2017-12-27 EP claimed
WO-2016131192-A1 COMPOUNDS AND METHODS FOR INDUCING BROWNING OF WHITE ADIPOSE TISSUE GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-08-25 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
EP-4680607-A1 BICYCLIC UREAS AS KINASE INHIBITORS Incyte Corporation (US) 2026-01-21 EP disclosed
US-20240317744-A1 Bicyclic Ureas As Kinase Inhibitors INCYTE CORPORATION 2024-09-26 US disclosed
WO-2024191996-A1 BICYCLIC UREAS AS KINASE INHIBITORS INCYTE CORPORATION (US) 2024-09-19 WO disclosed
US-20240115557-A1 INHIBITORS OF RNA-GUIDED NUCLEASES AND USES THEREOF THE BROAD INSTITUTE, INC. 2024-04-11 US disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
CN-109415358-B 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators 詹森药业有限公司 2022-04-05 CN disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed
US-20030092720-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD (JP) 2003-05-15 US disclosed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO disclosed
EP-0554004-A2 Cephem compounds and antibacterial agents KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1993-08-04 EP disclosed
US-3963735-A ANTICHOLINERGICS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1976-06-15 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 (7 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-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases RNASEH1, DNASE1, FEN1 ALDH1A1 2267/4885RAB9A 2879/4885NPC1 3091/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS ALDH1A1 614/4885RAB9A 2884/4885NPC1 2733/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 ALDH1A1 302/4885RAB9A 2823/4885NPC1 285/4885
US-20240115557-A1 INHIBITORS OF RNA-GUIDED NUCLEASES AND USES THEREOF ZFR, ENDOD1, FEN1 ALDH1A1 4794/4885RAB9A 2468/4885NPC1 1173/4885
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD ALDH1A1 271/4885RAB9A 3125/4885NPC1 406/4885
US-20240317744-A1 Bicyclic Ureas As Kinase Inhibitors JAK2, UCK2, ULK2 ALDH1A1 3820/4885RAB9A 3965/4885NPC1 3724/4885
US-20030092720-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC1 ALDH1A1 1515/4885RAB9A 496/4885NPC1 36/4885

“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.