SCHEMBL3899240

SCHEMBL3899240

FC(F)(F)c1cc(NC(=S)N[C@@H]2CCCC[C@H]2NCc2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.61
MAX P61244 1/20 0.61
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPT P10636 6/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
ALOX12 P18054 2/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CCR2 P41597 5/20 0.46
KDM4E B2RXH2 3/20 0.44
XBP1 P17861 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SSTR3 P32745 1/20 0.41

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
SCHEMBL3896541 0.89 MAPT (0.54) MYCMAXMEN1KMT2AMAPT
SCHEMBL3891983 0.86 SSTR3 (0.52) MYCMAXMEN1KMT2AMAPT
SCHEMBL3888547 0.85 LMNA (0.47) MYCMAXMEN1KMT2AMAPT
SCHEMBL3887750 0.85 MEN1 (0.43) MYCMAXMEN1KMT2AMAPT
SCHEMBL3887808 0.84 MAOB (0.53) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL17448378 0.84 LMNA (0.58) MYCMAXMEN1KMT2AMAPT
SCHEMBL7520490 0.84 LMNA (0.58) MYCMAXMEN1KMT2AMAPT
SCHEMBL31484379 0.84 LMNA (0.58) MYCMAXMEN1KMT2AMAPT
SCHEMBL3888147 0.83 LMNA (0.47) MYCMAXMEN1KMT2AMAPT
SCHEMBL17977244 0.82 MYC (0.52) MYCMAXMEN1KMT2AMAPT

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 8 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-8784775-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2014-07-22 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-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 MYC 1859/4885MAX 2391/4885MEN1 4127/4885

“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.