SCHEMBL250168

SCHEMBL250168

Cc1c(Cl)ccc2sc(=O)n(C(=O)N3CCN(CCO)CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.42
▸ POLB P06746 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALPL P05186 1/20 0.36
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ PDE7B Q9NP56 1/20 0.35
▸ RORC P51449 1/20 0.35

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
SCHEMBL27603207 0.77 TMEM97 (0.51) HSD17B10HTTALDH1A1MAPTHPGD
SCHEMBL10974771 0.66 HSD17B10 (0.34) HSD17B10HTTALDH1A1MAPTHPGD
SCHEMBL13290548 0.65 ALDH1A1 (0.52) POLBHTTALDH1A1MAPTHPGD
Tiaramide SCHEMBL29376518 0.64 NPY5R (0.58) TSHR
Tiaramide SCHEMBL25172 0.64 NPY5R (0.58) TSHR
SCHEMBL16132007 0.64 ALDH1A1 (0.56) POLBALDH1A1MAPTHPGDDUSP3
Tiaramide SCHEMBL181916 0.64 NPY5R (0.58) TSHR
Tiaramide SCHEMBL29379184 0.64 NPY5R (0.58) TSHR
SCHEMBL27580695 0.63 HSD11B1 (0.52) HSD17B10POLBHTTALDH1A1MAPT
SCHEMBL10211716 0.62 ALDH1A1 (0.69) POLBALDH1A1MAPTHPGDAKR1C3

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 HSD17B10 535/4885POLB 3509/4885HTT 4219/4885

“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.

Send feedback