SCHEMBL249130

SCHEMBL249130

O=C(O)NCc1ccc(N2CCSCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.52
TP53 P04637 1/20 0.47
KMT2A Q03164 2/20 0.46
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
AKR1C3 P42330 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL19553919 0.85 HDAC6 (0.54) TRPV1TP53KMT2AHTR2AHTR2C
SCHEMBL2755879 0.83 ERCC1 (0.58) TRPV1KMT2AALDH1A1MAPTKDM4E
SCHEMBL17218836 0.82 PRMT6 (0.47) TRPV1KMT2AALDH1A1MAPTKDM4E
SCHEMBL21448970 0.81 TRPV1 (0.47) TRPV1TP53KMT2AHTR2AHTR2C
SCHEMBL4102507 0.81 KMT2A (0.66) TP53KMT2AHTR2AHTR2CHTR2B
SCHEMBL21815373 0.81 ALDH1A1 (0.53) TP53KMT2AHTR2AHTR2CHTR2B
SCHEMBL617426 0.80 KDM4E (0.58) TP53KMT2AHTR2AHTR2CHTR2B
SCHEMBL10233020 0.79 SMN1; SMN2 (0.52) TRPV1KMT2AMAPTCA1CA2
SCHEMBL249626 0.79 KMT2A (0.47) TP53KMT2AHTR2AHTR2CHTR2B
SCHEMBL5221253 0.76 MAPT (0.51) TP53KMT2AALDH1A1MAPTKDM4E

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-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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 (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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 TRPV1 248/4885TP53 4869/4885KMT2A 3409/4885

“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.