SCHEMBL6644649

SCHEMBL6644649

O=C(Nc1ccc2c(c1)CN(C(=O)Cn1cccn1)C2)C1=C(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 7/20 0.42
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GFER P55789 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HIF1A Q16665 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTGES O14684 1/20 0.36
▸ SMO Q99835 1/20 0.36

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
SCHEMBL6646145 0.89 NAMPT (0.41) NAMPTLMNAGFERPKMHIF1A
SCHEMBL6644758 0.87 RAB9A (0.40) NAMPTLMNAGFERPKMHIF1A
SCHEMBL6490462 0.82 NAMPT (0.45) NAMPTHIF1ANPC1RAB9ASMN1; SMN2
SCHEMBL6643863 0.77 THRB (0.46) LMNAPOLBMAPT
SCHEMBL4742861 0.77 SMO (0.45) NAMPTLMNAPOLBPTGESSMO
SCHEMBL6644677 0.75 LMNA (0.43) LMNAPOLBHIF1ANPC1MAPT
SCHEMBL6646419 0.74 MAPT (0.47) NAMPTPOLBNPC1ALDH1A1MAPT
SCHEMBL6488027 0.73 ESR2 (0.50) NAMPTNPC1MAPTRAB9A
SCHEMBL6649867 0.73 HTR2C (0.42) LMNAHIF1ANPC1USP2ALDH1A1
SCHEMBL6643248 0.72 ALDH1A1 (0.46) LMNAHIF1AUSP2ALDH1A1MAPT

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 — — US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 — — 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR NAMPT 2225/4885LMNA 1410/4885POLB 1209/4885

“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.

Send feedback