SCHEMBL16809574

SCHEMBL16809574

O=S(=O)(c1ccccc1)n1c(CN2CCOCC2)cc2c(Cl)nccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
METAP2 P50579 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
PIK3CD O00329 2/20 0.39
MTOR P42345 2/20 0.39
MAPT P10636 2/20 0.38
HTR6 P50406 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ATR Q13535 1/20 0.37

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
SCHEMBL16794916 0.90 HTR6 (0.44) TSHRNPSR1NPC1MEN1KMT2A
SCHEMBL16794952 0.88 KMT2A (0.41) NPSR1HTTNPC1MEN1KMT2A
SCHEMBL7219174 0.80 PPARG (0.40) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL18372275 0.79 NPC1 (0.42) TSHRALDH1A1NPSR1HTTNPC1
Hydrochloric Acid SCHEMBL7536918 0.79 L3MBTL1 (0.41) ALDH1A1HTTSMN1; SMN2GAAL3MBTL1
SCHEMBL4386581 0.78 HTR6 (0.41) HTR6PIK3C3
SCHEMBL16795048 0.78 PPARG (0.46) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL16795075 0.78 RECQL (0.39) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL21528209 0.77 ERN1 (0.41) TSHRALDH1A1NPSR1HTTNPC1
SCHEMBL7219155 0.77 F10 (0.37) ALDH1A1HTTSMN1; SMN2GAAHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643967-B2 Pyrrolo[3,2-c]pyridine derivatives as TLR inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-09 US disclosed
US-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-12 US disclosed
WO-2015088045-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-18 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-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TLR9, TLR7, TLR1 TSHR 803/4885ALDH1A1 4008/4885NPSR1 1206/4885

“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.