SCHEMBL2642376

SCHEMBL2642376

CC(C)C(=O)Nc1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA12 O43570 1/20 0.62
CA9 Q16790 1/20 0.62
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 5/20 0.61
MAPT P10636 4/20 0.61
MEN1 O00255 4/20 0.61
RXFP1 Q9HBX9 1/20 0.61
RAB9A P51151 3/20 0.59
NPSR1 Q6W5P4 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
MLYCD O95822 1/20 0.56
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
POLB P06746 2/20 0.53
PKM P14618 2/20 0.53

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
SCHEMBL12808455 0.89 CA12 (0.53) CA1CA2CA12CA9ALDH1A1
SCHEMBL18880072 0.89 ALDH1A1 (0.73) CA1CA2CA12CA9ALDH1A1
SCHEMBL3872187 0.86 TAAR1 (0.66) CA1CA2CA12CA9ALDH1A1
SCHEMBL11417560 0.84 MAPT (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL11203308 0.84 MAPT (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL103862 0.83 KMT2A (0.61) CA1CA2CA12CA9ALDH1A1
SCHEMBL3827381 0.81 MAPT (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL13688927 0.81 CA1 (0.54) CA1CA2CA12CA9KMT2A
SCHEMBL2608916 0.81 MAPT (0.63) CA1CA2CA12CA9ALDH1A1
SCHEMBL13390897 0.81 KMT2A (0.63) CA1CA2CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0582829-B1 9-[(substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines as antibiotic agents AMERICAN CYANAMID CO (US) 2001-09-12 EP claimed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
CN-104744636-A Isoprene-vinyl aromatic hydrocarbon copolymer and method for producing same CHIMEI CORP 2015-07-01 CN disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO disclosed
CN-102558442-B Modified conjugated diene-vinyl aromatic hydrocarbon copolymer and method for producing same CHI MEI CORP 2015-03-18 CN disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
EP-0549849-B1 Magnetic paint and its use for coating objects DAINIPPON INK & CHEMICALS (JP) 1997-04-16 EP disclosed
US-5320769-A Comprising block polymers with polyurethane and vinyl polymer segments and magnetic powder DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-06-14 US disclosed
EP-0549849-A1 Magnetic paint and objects coated with same DAINIPPON INK AND CHEMICALS, INC. (JP) 1993-07-07 EP disclosed
EP-0198796-B1 MONOAZO DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed
US-4866164-A MONOAZO DYES FOR NATURAL AND SYNTHETIC POLYAMIDES; LIGHTFASTNESS, WETFASTNESS CIBA-GEIGY CORPORATION (US) 1989-09-12 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS CA1 3622/4885CA2 2641/4885CA12 4535/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN CA1 4192/4885CA2 2316/4885CA12 4704/4885

“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.