SCHEMBL9947816

SCHEMBL9947816

N=C(NO)c1c(F)cc(Cl)cc1Br

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ERN1 O75460 1/20 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
SCHEMBL2940676 0.81 ALDH1A1 (0.34) HPGDERN1
SCHEMBL31140494 0.73 MCL1 (0.42) NPC1RAB9AHPGDSMN1; SMN2ERN1
SCHEMBL31140501 0.72 DGAT1 (0.39) IDO1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL20267758 0.72 IDO1 (0.33) IDO1
SCHEMBL25280044 0.71 LMNA (0.40) NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL192353 0.71 CES2 (0.32) ERN1
SCHEMBL5802926 0.71 HTR2A (0.32) IDO1
SCHEMBL27219925 0.69 CA1 (0.33)
SCHEMBL10147778 0.69 PLAU (0.34) IDO1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7902786 0.68 HDAC1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065516-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2015-03-05 US disclosed
US-8912221-B2 Biaryl amide derivatives HOFFMANN-LA ROCHE INC. (US) 2014-12-16 US disclosed
EP-2668155-B1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2668155-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
US-8592426-B2 Aryl-benzocycloalkyl amide derivatives Hoffmann—La Roche Inc. (US) 2013-11-26 US disclosed
EP-2658848-A1 NEW BIARYL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 EP disclosed
CN-103328436-A Novel aryl-benzocycloalkylamide derivatives HOFFMANN LA ROCHE 2013-09-25 CN disclosed
CN-103249727-A New biaryl amide derivatives HOFFMANN LA ROCHE 2013-08-14 CN disclosed
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 US disclosed
WO-2012101011-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
WO-2012089601-A1 NEW BIARYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 WO disclosed
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-06-28 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-20150065516-A1 NEW BIARYL AMIDE DERIVATIVES BICRA, HDAC10, BRD7 IDO1 1099/4885NPC1 2184/4885RAB9A 13/4885
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES CYP1A1, AHR, CYP1B1 IDO1 1555/4885NPC1 887/4885RAB9A 68/4885
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES BICRA, HDAC10, BRD7 IDO1 1099/4885NPC1 2184/4885RAB9A 13/4885

“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.