SCHEMBL6729282

SCHEMBL6729282

Cc1ccc(NC(=S)N(C)C2CCN(CCCCOc3ccc(F)c(F)c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
ADRA1A P35348 3/20 0.42
HRH1 P35367 3/20 0.42
KCNH2 Q12809 3/20 0.42
ADRA2A P08913 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1B P35368 2/20 0.42
HTR6 P50406 2/20 0.42
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41
KCNA5 P22460 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DUSP3 P51452 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
SCHEMBL6733435 0.94 HTR2A (0.46) LMNAKDM4EGAASMN1; SMN2HTR1A
SCHEMBL6721710 0.93 KMT2A (0.45) LMNAKDM4EGAASMN1; SMN2HTR1A
SCHEMBL6726619 0.93 HRH3 (0.47) LMNAKDM4EGAASMN1; SMN2HTR1A
SCHEMBL6725068 0.92 LMNA (0.46) LMNAMAPTEPHX2HRH3
SCHEMBL6733614 0.91 HRH3 (0.45) LMNAMAPTEPHX2HRH3
SCHEMBL6725991 0.89 LMNA (0.47) LMNAKDM4EGAASMN1; SMN2MAPT
SCHEMBL6726011 0.88 EPHX2 (0.46) LMNASMN1; SMN2EPHX2HRH3
SCHEMBL6725012 0.88 HRH3 (0.46) LMNAKDM4EGAASMN1; SMN2HTR1A
SCHEMBL6733717 0.86 HRH3 (0.42) KDM4EHTR1ADRD2HTR2AHTR2C
SCHEMBL6724363 0.86 HRH3 (0.44) KDM4EHTR1ADRD2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014785-A1 Substituted 1-(piperidin-4-YL)-3-(aryl)-isothioureas, their preparation and therapeutic use PIERRE FABRE MEDICAMENT (FR) 2004-01-22 US disclosed
US-6583159-B1 Myocardial ischemia; cytoprotective properties PIERRE FABRE MEDICAMENT (FR) 2003-06-24 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-20040014785-A1 Substituted 1-(piperidin-4-YL)-3-(aryl)-isothioureas, their preparation and therapeutic use AQP1, SLCO2A1, SLCO2B1 LMNA 3830/4885KDM4E 2806/4885GAA 3700/4885

“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.