SCHEMBL2999573

SCHEMBL2999573

N#Cc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
CYP19A1 P11511 3/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
IL18 Q14116 1/20 0.47
MAOB P27338 2/20 0.47
LOXL2 Q9Y4K0 2/20 0.47
CYP2A6 P11509 1/20 0.47
CACNA1B Q00975 3/20 0.47
CACNA1G O43497 1/20 0.47
MAOA P21397 1/20 0.44

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
SCHEMBL200142 0.87 LOXL2 (0.58) CYP19A1MAOBLOXL2CYP2A6MAOA
SCHEMBL11169104 0.83 CYP19A1 (0.47) PARP15PARP10PARP2CYP19A1RAB9A
SCHEMBL8551187 0.82 ST14 (0.48) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL8852392 0.82 PARP15 (0.63) PARP15PARP10PARP2CYP19A1RAB9A
SCHEMBL7041250 0.82 PARP15 (0.63) PARP15PARP10PARP2CYP19A1RAB9A
SCHEMBL1338731 0.82 ST14 (0.48) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL9161636 0.81 LOXL2 (0.54) CYP19A1MAOBLOXL2CYP2A6MAOA
SCHEMBL2899550 0.81 LOXL2 (0.52) CYP19A1MAOBLOXL2CYP2A6MAOA
SCHEMBL9502707 0.80 HAO1 (0.36)
SCHEMBL3233441 0.80 LTA4H (0.59) PARP15PARP10PARP2CYP19A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7087644-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 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 (3 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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS PARP15 1986/4885PARP10 3379/4885PARP2 3133/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS PARP15 1986/4885PARP10 3379/4885PARP2 3133/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS PARP15 1986/4885PARP10 3379/4885PARP2 3133/4885

“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.