SCHEMBL3887808

SCHEMBL3887808

S=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
MAPT P10636 5/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ALOX12 P18054 4/20 0.46
SSTR3 P32745 2/20 0.45
HTT P42858 3/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.43
CA9 Q16790 1/20 0.43
EPHX2 P34913 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3888962 0.88 MAOB (0.60) MAOBMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL13650298 0.88 MAPT (0.43) MAOBMAOAMAPTKMT2ASMN1; SMN2
SCHEMBL28033892 0.87 SMN1; SMN2 (0.64) MAPTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL3890914 0.86 ALDH1A1 (0.54) MAOBMAOAMAPTKMT2ASMN1; SMN2
SCHEMBL3901429 0.84 SSTR3 (0.46) MAOAKMT2ASMN1; SMN2LMNATDP1
SCHEMBL3899240 0.84 MYC (0.61) MAOBMAOAMAPTKMT2ASMN1; SMN2
SCHEMBL3886963 0.84 SSTR3 (0.46) KMT2ASMN1; SMN2LMNAALDH1A1ALOX12
SCHEMBL3888172 0.83 HTT (0.60) MAPTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL2936924 0.80 KDM1A (0.58) MAOBMAOAKMT2AMEN1SSTR3
SCHEMBL2798417 0.80 KDM1A (0.58) MAOBMAOAKMT2AMEN1SSTR3

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 MAOB 3634/4885MAOA 4103/4885MAPT 3969/4885

“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.