SCHEMBL6759818

SCHEMBL6759818

O=C(Nc1cnc(NCc2ccccn2)c(Cl)c1)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ESRRG P62508 8/20 0.49
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
PTPN2 P17706 1/20 0.47
PTPN11 Q06124 1/20 0.47
TP53 P04637 1/20 0.46
PPARG P37231 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.44
ACKR3 P25106 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
SCHEMBL6756561 0.94 NPC1 (0.49) NPC1MAPTKDM4ERAB9AKMT2A
SCHEMBL6754374 0.84 NPC1 (0.46) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL6754416 0.76 CSF1R (0.45) NPC1MAPTKDM4ERAB9AKMT2A
SCHEMBL6759807 0.74 KMT2A (0.43) NPC1MAPTKMT2AMEN1GLA
SCHEMBL6757898 0.72 NPC1 (0.42) NPC1MAPTKDM4ERAB9AKMT2A
SCHEMBL6754353 0.71 MAPT (0.42) NPC1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6754321 0.71 GLA (0.42) NPC1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL18997461 0.70 HPGD (0.67) NPC1KDM4ERAB9AKMT2ASMN1; SMN2
SCHEMBL6756593 0.70 RAB9A (0.44) NPC1MAPTKDM4ERAB9AKMT2A
SCHEMBL20764073 0.70 NPC1 (0.72) NPC1MAPTKDM4ERAB9AKMT2A

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-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 NPC1 2667/4885MAPT 3247/4885KDM4E 1506/4885

“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.