SCHEMBL1830465

SCHEMBL1830465

Cc1cncc(SCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
ALDH1A1 P00352 1/20 0.42
DAO P14920 1/20 0.42
EGFR P00533 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 3/20 0.41
SLC6A4 P31645 1/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL24883472 0.79 SCN9A (0.48) SCN9AMAOAMAOBDAOHSD17B10
SCHEMBL1826745 0.79 MAOB (0.42) SCN9ACYP11B1CYP11B2MAOAMAOB
SCHEMBL1828030 0.79 MAOA (0.42) SCN9AMAOAMAOBALDH1A1DAO
SCHEMBL28202737 0.79 SMN1; SMN2 (0.49) SCN9AMAOAMAOBDAOHSD17B10
SCHEMBL14125786 0.79 SMN1; SMN2 (0.43) SCN9AMAOAMAOBALDH1A1DAO
SCHEMBL30194369 0.78 DAO (0.44) SCN9AMAOAMAOBALDH1A1DAO
SCHEMBL24883692 0.78 MAOA (0.41) SCN9AMAOAMAOBDAOHSD17B10
SCHEMBL24883423 0.78 DAO (0.44) SCN9AMAOAMAOBALDH1A1DAO
Hydrochloric Acid SCHEMBL30194448 0.77 MAOA (0.41) SCN9AMAOAMAOBDAOHSD17B10
SCHEMBL14176615 0.77 MAOA (0.50) SCN9AMAOAMAOBALDH1A1DAO

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8993598-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-31 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
US-8969387-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-03 US disclosed
CN-102197033-B Pyrrole compounds TAKEDA PHARMACEUTICAL 2014-07-16 CN disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
US-20140031393-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-30 US disclosed
EP-2318390-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-05-01 EP disclosed
CN-102197033-A Pyrrole compounds TAKEDA PHARMACEUTICAL 2011-09-21 CN disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2318390-A1 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-05-11 EP disclosed
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056577-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US 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-20100056577-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S SCN9A 2787/4885CYP11B1 197/4885CYP11B2 129/4885
US-20140031393-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S SCN9A 2787/4885CYP11B1 197/4885CYP11B2 129/4885
US-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S SCN9A 2787/4885CYP11B1 197/4885CYP11B2 129/4885

“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.