SCHEMBL3391907

SCHEMBL3391907

Nc1ccc(C#Cc2ccccn2)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
APP P05067 1/20 0.54
FFAR1 O14842 1/20 0.53
ERN1 O75460 1/20 0.49
GRM5 P41594 3/20 0.49
GRM4 Q14833 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL30214468 0.84 FFAR1 (0.58) APPFFAR1GRM5GRM4KCNH2
SCHEMBL1809895 0.84 FFAR1 (0.58) APPFFAR1GRM5GRM4KCNH2
Hydrochloric Acid SCHEMBL19668206 0.82 FFAR1 (0.57) APPFFAR1GRM5GRM4KCNH2
SCHEMBL352291 0.81 GRM5 (0.65) GRM5KCNH2
SCHEMBL5569770 0.81 GRM5 (0.53) FFAR1ERN1GRM5KCNH2
SCHEMBL30214469 0.81 FFAR1 (0.53) FFAR1ERN1GRM5KCNH2
SCHEMBL4750207 0.81 FFAR1 (0.53) FFAR1ERN1GRM5KCNH2
SCHEMBL14061855 0.81 GRM5 (0.53) FFAR1ERN1GRM5KCNH2
SCHEMBL28950042 0.81 GRM5 (0.56) FFAR1ERN1GRM5KCNH2
SCHEMBL2809759 0.80 ERN1 (0.49) ERN1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315857-A1 N- (4 -QUINOLINYLMETHYL) SULFONAMIDE DERIVATIVES AND THEIR USE AS ANTHELMINTICS E. I. DUPONT DE NEMOURS AND COMPANY 2014-10-23 US disclosed
EP-2785694-A1 N- (4 -QUINOLINYLMETHYL) SULFONAMIDE DERIVATIVES AND THEIR USE AS ANTHELMINTICS E. I. Du Pont de Nemours and Company (US) 2014-10-08 EP disclosed
WO-2013081783-A1 N- (4 -QUINOLINYLMETHYL) SULFONAMIDE DERIVATIVES AND THEIR USE AS ANTHELMINTICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 WO disclosed
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 US disclosed
EP-2207547-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045700-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2009-04-09 WO disclosed
WO-2009045700-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2009-04-09 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 (2 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-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 MAPT 4848/4885APP 3898/4885FFAR1 661/4885
US-20140315857-A1 N- (4 -QUINOLINYLMETHYL) SULFONAMIDE DERIVATIVES AND THEIR USE AS ANTHELMINTICS NQO2, SQOR, QSOX1 MAPT 4694/4885APP 4355/4885FFAR1 2775/4885

“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.