SCHEMBL657171

SCHEMBL657171

CN(Cc1cccs1)Cc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TAAR1 Q96RJ0 1/20 0.52
RIPK1 Q13546 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
HSD11B1 P28845 3/20 0.46
HTT P42858 2/20 0.46
CHRM2 P08172 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD1 P21728 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
OPRM1 P35372 2/20 0.46
SLC6A3 Q01959 2/20 0.46

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
SCHEMBL11466844 0.89 MEN1 (0.51) SMN1; SMN2HPGDALDH1A1TAAR1RIPK1
SCHEMBL15720861 0.88 MAPT (0.48) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL27305404 0.87 SMN1; SMN2 (0.49) SMN1; SMN2HPGDALDH1A1TAAR1RIPK1
SCHEMBL1304013 0.86
SCHEMBL29955953 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HPGDALDH1A1TAAR1RIPK1
SCHEMBL7417217 0.84 TRPM8 (0.47) SMN1; SMN2HPGDALDH1A1TAAR1RIPK1
Hydrochloric Acid SCHEMBL28582399 0.84 HPGD (0.53) SMN1; SMN2HPGDALDH1A1TAAR1RIPK1
SCHEMBL13696513 0.82 TAAR1 (0.46) SMN1; SMN2HPGDALDH1A1TAAR1RIPK1
SCHEMBL3323517 0.82 MAOA (0.54) SMN1; SMN2HPGDALDH1A1LMNATSHR
SCHEMBL13051292 0.82 TSHR (0.50) SMN1; SMN2HPGDALDH1A1RIPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867202-B1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2017-08-09 EP disclosed
US-9187442-B2 Method for producing stereoselective epoxyketone compound NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2015-11-17 US disclosed
US-20150126755-A1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-07 US disclosed
EP-2867202-A2 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2015-05-06 EP disclosed
US-9018403-B2 Method for producing tetrahydropyran compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-04-28 US disclosed
US-20140256921-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-09-11 US disclosed
US-8765974-B2 Method for producing tetrahydropyran compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-01 US disclosed
EP-2420504-B1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP disclosed
WO-2014003203-A2 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-01-03 WO disclosed
US-20120046476-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 US disclosed
EP-2420504-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP 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-20140256921-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF CYP3A5, CYP2E1, CYP3A43 SMN1; SMN2 3176/4885HPGD 44/4885ALDH1A1 235/4885
US-20150126755-A1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND HSD17B7, CYP51A1, AKR1B10 SMN1; SMN2 3996/4885HPGD 512/4885ALDH1A1 331/4885
US-20120046476-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF HPD, CYP3A5, CYP2E1 SMN1; SMN2 3324/4885HPGD 63/4885ALDH1A1 325/4885

“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.