SCHEMBL4782765

SCHEMBL4782765

CN(C)CCN(C)c1n[nH]c2cc(C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
KDM4E B2RXH2 4/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
GAA P10253 1/20 0.51
EPHX2 P34913 4/20 0.50
NR1H4 Q96RI1 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 1/20 0.49
HTR2C P28335 1/20 0.47
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
MAPK1 P28482 1/20 0.44
MCHR1 Q99705 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
DRD2 P14416 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
SCHEMBL4785918 0.88 LSS (0.54) ALDH1A1HPGDKDM4EEPHX2NR1H4
SCHEMBL4785231 0.85 POLB (0.50) CYP2C19CYP1A2SMN1; SMN2MAPK1MAPK8
SCHEMBL4784112 0.76 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ECYP2C9CYP2C19
SCHEMBL4784771 0.75 LMNA (0.52) EPHX2MAPK1MAPK8MAPK10MAPK14
SCHEMBL4782714 0.74 MAP2K4 (0.41) MAPK1MAPK8MAPK10MAPK14KIT
SCHEMBL4783277 0.73 MAP2K4 (0.40) MAPK1MAPK8MAPK10MAPK14KIT
Lithium Ion SCHEMBL4783272 0.72 FGFR1 (0.38) MAPK1MAPK8MAPK10MAPK14KIT
SCHEMBL5409835 0.71 MAOB (0.63) ALDH1A1HPGDKDM4ECYP2C9CYP2C19
SCHEMBL21490261 0.68 SMN1; SMN2 (0.69) ALDH1A1HPGDKDM4ECYP2C9CYP2C19
SCHEMBL20477570 0.68 EPHX2 (0.76) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US claimed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO 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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R ALDH1A1 2090/4885HPGD 730/4885KDM4E 3887/4885

“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.