SCHEMBL412279

SCHEMBL412279

CCOc1c(-c2ccc(Cl)cc2)cc(CO)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NOTUM Q6P988 1/20 0.41
S1PR4 O95977 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
AGPAT2 O15120 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
POLB P06746 3/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
S1PR1 P21453 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL411987 0.85 KMO (0.37) S1PR4ALDH1A1KDM4EHPGDTDP1
SCHEMBL463741 0.82 RORC (0.39) NOTUMS1PR4ALDH1A1KDM4EMAPT
SCHEMBL411899 0.81 CNR1 (0.41) NOTUM
SCHEMBL410973 0.77 MEN1 (0.44) KMT2AMEN1NOTUMS1PR4ALDH1A1
SCHEMBL9973788 0.75 THRB (0.45) KMT2AMEN1S1PR4ALDH1A1KDM4E
SCHEMBL411440 0.75 BPTF (0.37) NOTUMS1PR4ALDH1A1KDM4EHPGD
SCHEMBL20594055 0.70 CNR1 (0.42)
SCHEMBL19835433 0.69 NOTUM (0.49) KMT2AMEN1NOTUMALDH1A1KDM4E
SCHEMBL20594052 0.67 S1PR4 (0.42) NOTUMS1PR4
SCHEMBL23557565 0.66 NOTUM (0.39) KMT2AMEN1NOTUMALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8669254-B2 Pyridine, pyridazine, pyrimidine or pyrazine carboxamides as HDL-cholesterol raising agents HOFFMAN-LA ROCHE INC. (US) 2014-03-11 US disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR KMT2A 323/4885MEN1 1426/4885NOTUM 391/4885
US-20120157476-A1 OXIME COMPOUNDS APOB, APOL1, PON1 KMT2A 1739/4885MEN1 1367/4885NOTUM 822/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR KMT2A 323/4885MEN1 1426/4885NOTUM 391/4885

“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.