SCHEMBL1397414

SCHEMBL1397414

O=C(NCCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.67
MEN1 O00255 1/20 0.65
USP2 O75604 1/20 0.65
POLB P06746 1/20 0.65
BLM P54132 1/20 0.65
KMT2A Q03164 1/20 0.65
RAB9A P51151 1/20 0.58
CLK1 P49759 1/20 0.53
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
ACKR3 P25106 1/20 0.52

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
SCHEMBL3194284 0.85 MAPT (0.54) NAMPTMEN1USP2POLBBLM
SCHEMBL19823622 0.84 MEN1 (0.73) NAMPTMEN1USP2POLBBLM
SCHEMBL31530567 0.84 MEN1 (0.73) NAMPTMEN1USP2POLBBLM
SCHEMBL27888928 0.80 NAMPT (1.00) NAMPTMEN1USP2POLBBLM
SCHEMBL5092957 0.77 RAB9A (0.72) NAMPTMEN1USP2POLBBLM
SCHEMBL3573110 0.76 TRPV1 (0.64) MEN1KMT2ARAB9AHDAC3HDAC1
SCHEMBL17209262 0.75 TRPV1 (0.47) MEN1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL16866589 0.75 RAB9A (0.64) NAMPTMEN1USP2POLBBLM
Hydrochloric Acid SCHEMBL6370237 0.75 RAB9A (0.68) NAMPTMEN1USP2POLBBLM
SCHEMBL5094626 0.75 RAB9A (0.77) NAMPTMEN1USP2POLBBLM

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
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
EP-2007726-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-31 EP disclosed
WO-2007090749-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185113-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 NAMPT 932/4885MEN1 2263/4885USP2 4217/4885

“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.