SCHEMBL3705378

SCHEMBL3705378

O=C(c1ccccc1)c1cc2ccccc2nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
IKBKB O14920 1/20 0.46
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
ALOX5 P09917 1/20 0.44
MGAM O43451 1/20 0.44
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL31105819 0.84 HTT (0.54) HTTSMN1; SMN2KDM4EALDH1A1ATM
SCHEMBL529351 0.84 HTT (0.54) HTTSMN1; SMN2KDM4EALDH1A1ATM
SCHEMBL29253558 0.83 MAPT (0.51) HTTSMN1; SMN2ALDH1A1MAPTMAOA
Hydrochloric Acid SCHEMBL30026 0.83 HTT (0.52) HTTSMN1; SMN2KDM4EALDH1A1ATM
SCHEMBL26969584 0.81 CNR2 (0.53) CNR2HTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL30025 0.81 HTT (0.54) HTTSMN1; SMN2KDM4EALDH1A1ATM
SCHEMBL28239861 0.80 IKBKB (0.68) CNR2KDM4EALDH1A1MAPTMAOA
SCHEMBL29754608 0.79 IKBKB (0.67) HTTSMN1; SMN2KDM4EALDH1A1ATM
SCHEMBL31301 0.79 IKBKB (0.67) HTTSMN1; SMN2KDM4EALDH1A1ATM
SCHEMBL3144090 0.79 KDM4E (0.55) HTTSMN1; SMN2KDM4EALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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 (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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 CNR2 577/4885HTT 2784/4885SMN1; SMN2 3565/4885

“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.