SCHEMBL3887744

SCHEMBL3887744

O=C(NS[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RX1 P51575 4/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
EPHX1 P07099 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CCR2 P41597 3/20 0.39
SSTR3 P32745 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
GRIK1 P39086 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL3887750 0.80 MEN1 (0.43) MAPTMEN1LMNAKMT2AP2RX1
SCHEMBL3888543 0.78 EPHX2 (0.38) MAPTMEN1KMT2ARAB9AP2RX1
SCHEMBL20836623 0.73 MAPT (0.41) MAPTP2RX1EPHX1
SCHEMBL4300746 0.67 MAPT (0.44) MAPTRAB9AP2RX1ALDH1A1CCR2
SCHEMBL3895059 0.67 CCR2 (0.82) CCR2
SCHEMBL3895062 0.67 CCR2 (0.82) CCR2
SCHEMBL3895054 0.67 CCR2 (0.82) CCR2
SCHEMBL6693442 0.67 PTPRF (0.59) MAPTMEN1LMNAKMT2AKDM4E
SCHEMBL11010708 0.66 P2RX1 (0.58) MAPTMEN1LMNAKMT2ANPC1
SCHEMBL28217527 0.66 P2RX1 (0.68) MAPTMEN1LMNAKMT2ANPC1

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-8334405-B2 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 US claimed
US-8334405-B2 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 US disclosed
US-20090253919-A1 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS (US) 2009-10-08 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 (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-20090253919-A1 Chiral thiourea compounds and process for enantioselective reduction of ketones TREH, ADH1A, ADH1C MAPT 3969/4885MEN1 4127/4885LMNA 4040/4885

“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.