SCHEMBL1725253

SCHEMBL1725253

COc1ncccc1NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GFER P55789 1/20 0.47
ATR Q13535 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 4/20 0.45
P2RY1 P47900 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
NAMPT P43490 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL50243 0.86 MEN1 (0.55) ALDH1A1GFERATRKDM4EMAPT
SCHEMBL7850023 0.83 L3MBTL1 (0.56) ALDH1A1P2RY1L3MBTL1MAPTGAA
SCHEMBL4638188 0.83 P2RY1 (0.42) ALDH1A1TDP1KDM4EP2RY1L3MBTL1
SCHEMBL8495853 0.82 CETP (0.47) ALDH1A1GFERATRKDM4EP2RY1
SCHEMBL12182365 0.82 BRD4 (0.50) ALDH1A1ATRTDP1L3MBTL1MAPT
SCHEMBL8699110 0.82 ALDH1A1 (0.50) ALDH1A1TDP1KDM4EP2RY1MAPT
SCHEMBL17963473 0.82 MAPT (0.44) ALDH1A1GFERATRTDP1KDM4E
SCHEMBL17963475 0.82 MAPT (0.44) ALDH1A1GFERATRTDP1KDM4E
SCHEMBL17607162 0.80 ALDH1A1 (0.42) ALDH1A1GFERATRKDM4EP2RY1
SCHEMBL1723318 0.80 METAP1 (0.54) ALDH1A1ATRP2RY1NAMPTSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024098890-A1 PYRIDONE COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE 南京中澳转化医学研究院有限公司 2024-05-16 WO disclosed
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US disclosed
EP-4168394-A1 AMIDOPYRIMIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-26 EP disclosed
WO-2021259815-A1 AMIDOPYRIMIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-30 WO disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed
EP-2403833-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
WO-2010009775-A1 CARBAMATE-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF VASOPRESSIN-DEPENDENT DISEASES ABBOTT GMBH & CO. KG (DE) 2010-01-28 WO disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
EP-0717743-B1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-11-14 EP disclosed
EP-0972774-A2 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-pyridines Dow AgroSciences LLC (US) 2000-01-19 EP disclosed
EP-0717743-A1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-06-26 EP 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 (4 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALDH1A1 3511/4885GFER 4151/4885ATR 1014/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 ALDH1A1 2782/4885GFER 1761/4885ATR 205/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALDH1A1 3511/4885GFER 4151/4885ATR 1014/4885
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 ALDH1A1 1558/4885GFER 2532/4885ATR 1383/4885

“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.