Sugi Predict

Sugi Predict / Compounds / SCHEMBL3887750

SCHEMBL3887750

SCHEMBL3887750

O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@H]2NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ MYC P01106 1/20 0.43
▸ MAX P61244 1/20 0.43
▸ CCR2 P41597 6/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ P2RX1 P51575 1/20 0.42
▸ TMPRSS4 Q9NRS4 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ SSTR3 P32745 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3899240 0.85 MYC (0.61) MEN1KMT2AMAOAMAOBMYC
SCHEMBL3891983 0.82 SSTR3 (0.52) MEN1KMT2AMAOAMAOBMYC
SCHEMBL3890914 0.82 ALDH1A1 (0.54) MEN1KMT2AMAOAMAOBLMNA
SCHEMBL3896541 0.80 MAPT (0.54) MEN1KMT2AMYCMAXCCR2
SCHEMBL3887744 0.80 MAPT (0.43) MEN1KMT2ACCR2LMNAMAPT
SCHEMBL31484379 0.78 LMNA (0.58) MEN1KMT2AMYCMAXLMNA
SCHEMBL7520490 0.78 LMNA (0.58) MEN1KMT2AMYCMAXLMNA
SCHEMBL17448378 0.78 LMNA (0.58) MEN1KMT2AMYCMAXLMNA
SCHEMBL3888547 0.75 LMNA (0.47) MEN1KMT2AMYCMAXCCR2
SCHEMBL30542226 0.75 ALDH1A1 (0.57) MEN1KMT2AMAOAMAOBLMNA

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 MEN1 4127/4885KMT2A 2390/4885MAOA 4103/4885

“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.