SCHEMBL4785231

SCHEMBL4785231

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KMT2A Q03164 3/20 0.47
CACNA1G O43497 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 3/20 0.42
MAPK3 P27361 2/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAPK8 P45983 2/20 0.41
MAPK10 P53779 2/20 0.41
MAPK14 Q16539 2/20 0.41
B3GNT2 Q9NY97 1/20 0.41
ITK Q08881 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 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
SCHEMBL4784771 0.87 LMNA (0.52) MAPK1MAPK3ROCK2ROCK1MAPK8
SCHEMBL4785918 0.87 LSS (0.54) MAPK1MAPK3ROCK2MAPK10MAPK14
SCHEMBL4782765 0.85 ALDH1A1 (0.51) CYP1A2CYP2C19SMN1; SMN2MAPK1ROCK2
SCHEMBL4782714 0.78 MAP2K4 (0.41) MAPK1MAPK8MAPK10MAPK14ITK
SCHEMBL4783277 0.77 MAP2K4 (0.40) MAPK1MAPK8MAPK10MAPK14ITK
Lithium Ion SCHEMBL4783272 0.76 FGFR1 (0.38) MAPK1MAPK8MAPK10MAPK14
SCHEMBL4784235 0.73 KMT2A (0.51) POLBKMT2ARXFP1MEN1CYP1A2
SCHEMBL923021 0.68 MAPK1 (0.64) MAPK1MAPK3ROCK2ROCK1MAPK14
SCHEMBL8987867 0.68 MEN1 (0.78) KMT2AMEN1CYP1A2CYP2C19RAB9A
SCHEMBL23563004 0.68 MEN1 (0.58) POLBKMT2AMEN1RAB9ASMN1; SMN2

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 POLB 4690/4885KMT2A 3487/4885CACNA1G 4103/4885

“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.