SCHEMBL1726141

SCHEMBL1726141

CCCCCC1(N)C=CC=CC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.39
MAOA P21397 10/20 0.39
MAOB P27338 10/20 0.39
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
SLC10A2 Q12908 3/20 0.31

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
SCHEMBL3458780 0.74 KCNH2 (0.39) MMP2MMP9MMP3
SCHEMBL1153469 0.72 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL734440 0.71 KDM1A (0.38) KDM1AMAOAMAOB
SCHEMBL9080707 0.71 LTA4H (0.39) KDM1AMAOAMAOB
SCHEMBL3102574 0.71 POLA1 (0.35)
SCHEMBL10674140 0.71 KDM1A (0.38) KDM1AMAOAMAOB
SCHEMBL9423932 0.69 POLA1 (0.30)
SCHEMBL10335526 0.69 GAA (0.32) KDM1AMAOAMAOBMMP2MMP9
SCHEMBL5149443 0.67 HTR2A (0.39) KDM1AMAOAMAOB
SCHEMBL9100196 0.67 KDM1A (0.34) KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406210-A1 PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS BASF SE (DE) 2012-01-18 EP claimed
WO-2010102980-A1 PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS BASF SE (DE) 2010-09-16 WO claimed
US-8853455-B2 Process for preparing substituted 2-nitrobiphenyls BASF SE (DE) 2014-10-07 US disclosed
US-8637707-B2 Method for producing aminobiphenylene BASF SE (DE) 2014-01-28 US disclosed
EP-2406210-A1 PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS BASF SE (DE) 2012-01-18 EP disclosed
US-20110319665-A1 Process for Preparing Substituted 2-Nitrobiphenyls BASF SE (DE) 2011-12-29 US disclosed
WO-2010102980-A1 PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS BASF SE (DE) 2010-09-16 WO 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 (1 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-20110319665-A1 Process for Preparing Substituted 2-Nitrobiphenyls CYP2J2, LTC4S, CYP1A2 KDM1A 1337/4885MAOA 301/4885MAOB 88/4885

“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.