SCHEMBL1676750

SCHEMBL1676750

O=C(O)c1cccc(NS(=O)(=O)c2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.64
PFKFB3 Q16875 1/20 0.64
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
AKR1C3 P42330 1/20 0.55
THRB P10828 1/20 0.55
SNCA P37840 1/20 0.55
HSD17B10 Q99714 1/20 0.53
NAMPT P43490 1/20 0.53
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL5330736 0.85 ALDH1A1 (0.64) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL17331343 0.84 NAMPT (0.55) KMT2AMEN1ALDH1A1MAPTSNCA
SCHEMBL894613 0.84 POLB (0.82) POLBPFKFB3KMT2AMEN1ALDH1A1
SCHEMBL17331338 0.83 NAMPT (0.54) KMT2AMEN1ALDH1A1MAPTSNCA
SCHEMBL30926721 0.82 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1MAPTNAMPT
SCHEMBL22633468 0.82 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1MAPTNAMPT
SCHEMBL2189203 0.82 KMT2A (0.56) POLBKMT2AALDH1A1MAPTSNCA
SCHEMBL17331317 0.82 SMN1; SMN2 (0.64) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL17331320 0.81 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1MAPTSNCA
SCHEMBL784141 0.81 KEAP1 (0.66) POLBKMT2AMEN1ALDH1A1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701627-B2 LRRK2 GTP binding inhibitors for treatment of Parkinson's disease and neuroinflammatory disorders UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-11 US disclosed
US-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE 2015-12-17 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-4439444-A HISTAMINE RECEPTOR ANTAGONISTS SANOFI (FR) 1984-03-27 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 (2 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE POLB 4497/4885PFKFB3 1138/4885KMT2A 2145/4885
US-20150361038-A1 LRRK2 GTP BINDING INHIBITORS FOR TREATMENT OF PARKINSON'S DISEASE AND NEUROINFLAMMATORY DISORDERS LRRK2, PARK7, SNCA POLB 2683/4885PFKFB3 3497/4885KMT2A 2480/4885

“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.