SCHEMBL3549751

SCHEMBL3549751

C[C@@H](c1ccc(C2=CCN(C(=O)C(F)(F)F)CC2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.43
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CNR1 P21554 2/20 0.41
QDPR P09417 1/20 0.39
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SOS1 Q07889 1/20 0.38
CCR1 P32246 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3554859 0.78 MAPK1 (0.44) ALDH1A1ALOX15SMN1; SMN2MAPTTSHR
SCHEMBL3558684 0.76 NAMPT (0.43) NAMPTKCNH2HRH3CCR1
SCHEMBL2200188 0.76 KDM1A (0.38) KCNH2
SCHEMBL3554678 0.70 MAPK1 (0.43) ALDH1A1MAPTHPGDTSHR
SCHEMBL16230849 0.70 ALDH1A1 (0.50) NAMPTCNR1QDPRNPC1ALDH1A1
SCHEMBL2196323 0.68 CCR5 (0.30) QDPR
SCHEMBL1448846 0.68 ESR1 (0.42) ALDH1A1ALOX15MAPT
SCHEMBL2429212 0.68 ESR1 (0.42) ALDH1A1ALOX15MAPT
SCHEMBL3552617 0.67 AKR1C3 (0.36)
SCHEMBL18858019 0.67 ESR1 (0.39) NAMPTKCNH2HRH3CNR1QDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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 (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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A NAMPT 3577/4885KCNH2 2028/4885HRH3 769/4885

“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.