SCHEMBL3901429

SCHEMBL3901429

CNC(=S)N[C@@H]1CCCC[C@H]1NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 6/20 0.46
HTT P42858 2/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
FUCA1 P04066 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 3/20 0.43
ALOX12 P18054 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.41
EPHX1 P07099 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
SCHEMBL3887808 0.84 MAOB (0.53) SSTR3HTTALDH1A1TDP1ALOX12
SCHEMBL3888172 0.84 HTT (0.60) HTTALDH1A1RAB9AALOX12NPC1
SCHEMBL3888174 0.81 MMP1 (0.46)
SCHEMBL3889565 0.81 MMP1 (0.46)
SCHEMBL3888181 0.81 MMP1 (0.46)
SCHEMBL3889559 0.81 MMP1 (0.46)
SCHEMBL2798417 0.81 KDM1A (0.58) SSTR3FUCA1RAB9AKMT2AKDM1A
SCHEMBL2198525 0.81 KDM1A (0.58) SSTR3FUCA1RAB9AKMT2AKDM1A
SCHEMBL491107 0.81 KDM1A (0.58) SSTR3FUCA1RAB9AKMT2AKDM1A
SCHEMBL2197651 0.81 KDM1A (0.58) SSTR3FUCA1RAB9AKMT2AKDM1A

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 7 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-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-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
US-20090253919-A1 Chiral thiourea compounds and process for enantioselective reduction of ketones BOARD OF REGENTS (US) 2009-10-08 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 SSTR3 1363/4885HTT 2789/4885CARM1 1961/4885

“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.