SCHEMBL4785545

SCHEMBL4785545

CN1CCN(c2nn(C)c3cc(C(=O)NCc4ccc(OC(F)(F)F)cc4)ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HPGD P15428 5/20 0.59
CYP2C9 P11712 4/20 0.59
CYP2C19 P33261 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 4/20 0.55
GAA P10253 1/20 0.55
CYP3A4 P08684 1/20 0.53
EPHX2 P34913 3/20 0.50
NR1H4 Q96RI1 1/20 0.50
ROCK2 O75116 1/20 0.48
NAMPT P43490 1/20 0.48
KMT2A Q03164 1/20 0.47
HTR2C P28335 1/20 0.47
PTGER4 P35408 2/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
ABL1 P00519 1/20 0.44

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
SCHEMBL4807228 0.89 KDM4E (0.52) ALDH1A1HPGDCYP2C9CYP2C19SMN1; SMN2
SCHEMBL4783731 0.88 BRAF (0.51) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL4781008 0.85 KMT2A (0.51) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL4784112 0.83 ALDH1A1 (0.54) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL4782979 0.76 RAB9A (0.55) ALDH1A1HPGDCYP2C19CYP1A2SMN1; SMN2
SCHEMBL4785283 0.76 KDM4E (0.43) ALDH1A1HPGDSMN1; SMN2KDM4EGAA
SCHEMBL4784193 0.75 DDR1 (0.51) GAAEPHX2ROCK2HDAC1
SCHEMBL14173393 0.73 KMT2A (0.61) ALDH1A1HPGDSMN1; SMN2KDM4EGAA
SCHEMBL4785947 0.72 CHEK1 (0.45) ALDH1A1KDM4ECYP3A4KMT2AHDAC1
SCHEMBL4783741 0.72 KIT (0.52) ALDH1A1HPGDCYP2C9CYP2C19SMN1; 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 7 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
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 730/4885CYP2C9 2230/4885

“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.