SCHEMBL5450124

SCHEMBL5450124

CC(C)CNC(=S)Nc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
MAPT P10636 2/20 0.74
ALOX12 P18054 2/20 0.74
LMNA P02545 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.72
KMT2A Q03164 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HPGD P15428 2/20 0.60
MAOA P21397 2/20 0.58
MAOB P27338 2/20 0.58
CYP3A4 P08684 1/20 0.57
TAS2R38 P59533 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ABAT P80404 1/20 0.56
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53

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
SCHEMBL31192807 0.87 ALDH1A1 (0.59) ALDH1A1MAPTALOX12LMNASMN1; SMN2
SCHEMBL20109301 0.87 ALDH1A1 (0.59) ALDH1A1MAPTALOX12LMNASMN1; SMN2
SCHEMBL18756478 0.82 LMNA (0.71) ALDH1A1MAPTALOX12LMNASMN1; SMN2
SCHEMBL11209835 0.79 ALDH1A1 (0.65) ALDH1A1MAPTALOX12LMNASMN1; SMN2
SCHEMBL1275764 0.79 KMT2A (0.72) ALDH1A1MAPTALOX12LMNASMN1; SMN2
SCHEMBL2459615 0.78 SMN1; SMN2 (0.67) ALDH1A1MAPTALOX12LMNASMN1; SMN2
SCHEMBL8956279 0.78 KMT2A (0.78) ALDH1A1MAPTALOX12LMNASMN1; SMN2
SCHEMBL10596294 0.78 LMNA (0.61) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL21327696 0.76 MAOA (0.51) ALDH1A1MAPTALOX12LMNAKMT2A
SCHEMBL5458013 0.76 KMT2A (1.00) ALDH1A1MAPTALOX12LMNAKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249701-A1 Cyclic amine CCR5 receptor antagonists TEIJIN LIMITED 2007-10-25 US disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed
US-20070010509-A1 Cycloamine ccr5 receptor antagonists TEIJIN PHARMA LIMITED (JP) 2007-01-11 US disclosed
US-4713382-A N-phenyl-4-phenyl-1-piperazinecarboxamidines and related compounds as antiarrhythmic agents SYNTEX (U.S.A.) INC. (US) 1987-12-15 US disclosed
EP-0204265-A1 N-Phenyl-4-phenyl-1-piperazine carboxamidines and related compounds as antiarrhythmic agents LABORATOIRES SYNTEX S.A. (FR) 1986-12-10 EP 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 (2 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-20070010509-A1 Cycloamine ccr5 receptor antagonists CCR5, CCR2, CCR1 ALDH1A1 1322/4885MAPT 3786/4885ALOX12 642/4885
US-20070249701-A1 Cyclic amine CCR5 receptor antagonists CCR5, CCR7, CCR2 ALDH1A1 966/4885MAPT 3908/4885ALOX12 1526/4885

“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.