SCHEMBL2855474

SCHEMBL2855474

Cc1ccc(NC(=O)O)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.48
CFTR P13569 1/20 0.48
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
ALOX15 P16050 2/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
BLM P54132 1/20 0.45
GNG2 P59768 1/20 0.45
GNB1 P62873 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CASP1 P29466 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.44
USP2 O75604 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL11320359 0.88 GNG2 (0.53) TDP1MAPTPOLBCFTRKMT2A
SCHEMBL9136264 0.87 GPR35 (0.53) TDP1MAPTPOLBCFTRKMT2A
SCHEMBL2081736 0.86 TDP1 (0.57) TDP1MAPTPOLBKMT2AMEN1
SCHEMBL30483162 0.86 TDP1 (0.57) TDP1MAPTPOLBKMT2AMEN1
SCHEMBL6827233 0.86 KIF11 (0.52) TDP1MAPTPOLBCFTRALOX15
SCHEMBL1654638 0.84 ALDH1A1 (0.55) TDP1MAPTPOLBKMT2AMEN1
SCHEMBL1504525 0.84 NPC1 (0.60) MAPTPOLBKMT2AMEN1NPC1
SCHEMBL11212757 0.83 MAPT (0.47) TDP1MAPTPOLBCFTRKMT2A
SCHEMBL31314406 0.83 SMN1; SMN2 (0.52) TDP1MAPTPOLBCFTRKMT2A
SCHEMBL10782684 0.83 SMN1; SMN2 (0.52) TDP1MAPTPOLBCFTRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4178455-A FROM AROMATIC NITRO COMPOUND, ALCOHOL AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-12-11 US claimed
WO-2024158872-A1 1,3-INDOLE-PROPANAMIDE INHIBITORS OF SARS-COV-2 PLPRO/NSP3 AND DERIVATIVES THEREOF THE ROCKEFELLER UNIVERSITY (US) 2024-08-02 WO disclosed
WO-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
WO-2023183470-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-09-28 WO disclosed
WO-2023283369-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-01-12 WO disclosed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-7863440-B2 Macrocyclic carbodiimides (MC-CDI) and their derivatives, syntheses and applications of the same GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) 2011-01-04 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
US-20090163525-A1 SUBSTITUTED QUINAZOLINES WITH ANTI-CANCER ACTIVITY ASTRAZENECA AB (SE) 2009-06-25 US disclosed
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-1761506-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006040568-A1 QUINOXALINES AS B RAF INHIBITORS ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006024834-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 WO disclosed
WO-2005123696-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2005-12-29 WO disclosed
EP-0000563-B1 PROCESS FOR PREPARING AROMATIC URETHANES MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-05-12 EP disclosed
EP-0000815-B1 PROCESS FOR PREPARING N-ARYL OR N-ARALKYL SUBSTITUTED URETHANES MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-01-27 EP disclosed
US-4227008-A CATALYTIC REACTION OF A NITRO-, NITROSO-, OR CARBAMATE-CONTAINING AROMATIC PRIMARY AMINE, AN ALCOHOL, AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1980-10-07 US disclosed
US-4178455-A FROM AROMATIC NITRO COMPOUND, ALCOHOL AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-12-11 US disclosed
EP-0000815-A1 Process for preparing N-aryl or N-aralkyl substituted urethanes MITSUI TOATSU CHEMICALS, Inc. (JP) 1979-02-21 EP disclosed
EP-0000563-A1 Process for preparing aromatic urethanes MITSUI TOATSU CHEMICALS, Inc. (JP) 1979-02-07 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 (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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF TDP1 2243/4885MAPT 4337/4885POLB 2028/4885
US-20090163525-A1 SUBSTITUTED QUINAZOLINES WITH ANTI-CANCER ACTIVITY BRAF, NRAS, RAF1 TDP1 1677/4885MAPT 4546/4885POLB 1326/4885

“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.