SCHEMBL3287569

SCHEMBL3287569

CS/C(=N\c1ccccc1)NC#N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.69
GAA P10253 3/20 0.52
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 3/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38

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
SCHEMBL3287572 1.00 SMN1; SMN2 (0.69) SMN1; SMN2GAACRHBPCRHR2ALDH1A1
SCHEMBL13325330 1.00 SMN1; SMN2 (0.69) SMN1; SMN2GAACRHBPCRHR2ALDH1A1
SCHEMBL1309528 0.83 SMN1; SMN2 (0.57) SMN1; SMN2GAACRHBPCRHR2ALDH1A1
SCHEMBL8772859 0.83 ALDH1A1 (0.58) SMN1; SMN2GAAALDH1A1USP2KMT2A
SCHEMBL10341394 0.83 SMN1; SMN2 (0.57) SMN1; SMN2GAAALDH1A1LMNAUSP2
SCHEMBL7978023 0.83 SMN1; SMN2 (0.57) SMN1; SMN2GAACRHBPCRHR2ALDH1A1
SCHEMBL11168013 0.81 SMN1; SMN2 (0.59) SMN1; SMN2GAACRHBPCRHR2ALDH1A1
SCHEMBL10452572 0.81 SMN1; SMN2 (0.72) SMN1; SMN2GAACRHBPCRHR2ALDH1A1
SCHEMBL17393894 0.78 SMN1; SMN2 (0.56) SMN1; SMN2GAACRHBPCRHR2ALDH1A1
SCHEMBL21132821 0.77 NOS1 (0.45) SMN1; SMN2ALDH1A1LMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149474-A1 GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-06-11 US claimed
US-9896433-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2018-02-20 US disclosed
US-9896433-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2018-02-20 US disclosed
US-9382218-B2 N-heteroaryl substituted aniline derivatives as HCV-antivirals HOFFMANN-LA ROCHE INC. (US) 2016-07-05 US disclosed
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HOFFMANN-LA ROCHE INC. 2016-01-07 US disclosed
US-20150376165-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
US-7812026-B2 Imidazole derivatives having a positive allosteric GABAB receptor modulator effect and methods of use ASTRAZENECA AB (SE) 2010-10-12 US disclosed
US-7745474-B2 tert-butyl 4-{[(4-chlorophenyl)carbonothioyl]amino}-2-(dimethylamino)-1-phenyl-1H-imidazole-5-carboxylate, having a positive allosteric GABA receptor modulator effect, used optionally in combination with a GABA receptor agonist; gastroesophageal reflux; irritable bowel syndrome; dyspepsia ASTRAZENECA AB (SE) 2010-06-29 US disclosed
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-20090149474-A1 GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-06-11 US disclosed
US-20090005428-A1 Imidazole Derivatives for the Treatment of Gastrointestinal Disorders ASTRAZENECA AB (SE) 2009-01-01 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
EP-1968947-A1 GABA-B RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-09-17 EP disclosed
EP-1966154-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073298-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2007073300-A1 GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
EP-1761531-A1 IMIDAZOLE VARIANTS AS MODULATORS OF GABA RECEPTOR FOR THE TREATMENT OF GI DISORDERS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006001750-A1 IMIDAZOLE VARIANTS AS MODULATORS OF GABA RECEPTOR FOR THE TREATMENT OF GI DISORDERS ASTRAZENECA AB (SE) 2006-01-05 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 (5 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-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders GABRB1, GABBR2, GABBR1 SMN1; SMN2 1857/4885GAA 803/4885CRHBP 1209/4885
US-20150376165-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SMN1; SMN2 2999/4885GAA 78/4885CRHBP 4146/4885
US-20090149474-A1 GABA-B RECEPTOR MODULATORS GABRB1, GABBR2, GABRB2 SMN1; SMN2 1985/4885GAA 909/4885CRHBP 764/4885
US-20090005428-A1 Imidazole Derivatives for the Treatment of Gastrointestinal Disorders GABRB1, GABRB2, GABRB3 SMN1; SMN2 1693/4885GAA 765/4885CRHBP 1261/4885
US-20160000763-A1 N-HETEROARYL SUBSTITUTED ANILINE DERIVATIVES AS HCV-ANTIVIRALS HAVCR2, UGT1A1, UGT1A3 SMN1; SMN2 3483/4885GAA 330/4885CRHBP 4188/4885

“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.