SCHEMBL20636621

SCHEMBL20636621

COc1ccc(Cc2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.66
RAB9A P51151 14/20 0.66
TP53 P04637 8/20 0.66
SMN1; SMN2 Q16637 7/20 0.66
MAPT P10636 5/20 0.66
TSHR P16473 5/20 0.66
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 1/20 0.54
CASP1 P29466 1/20 0.54
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.52
CREBBP Q92793 1/20 0.52
MAOB P27338 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51

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
SCHEMBL1353243 0.78 NPC1 (0.72) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL14117320 0.77 PPARA (0.55) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL14825083 0.74 NPC1 (0.74) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1766164 0.71 NPC1 (0.70) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1766171 0.71 NPC1 (0.72) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL18160411 0.71 MEN1 (0.60) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL13675927 0.71 RAB9A (0.77) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL5172898 0.71 RAB9A (0.78) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL3596550 0.71 NPC1 (0.62) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL3597396 0.71 NPC1 (0.62) NPC1RAB9ATP53SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10548877-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 US claimed
US-20190083467-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-21 US claimed
EP-3428150-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-01-16 EP claimed
US-10548877-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 US disclosed
US-10548877-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 US disclosed
US-20190083467-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-21 US disclosed
US-20190083467-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-21 US disclosed
EP-3428150-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-01-16 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 (2 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-20190083467-A1 AROMATIC RING COMPOUND CHRM1, CHRM2, CHRM4 NPC1 1112/4885RAB9A 869/4885TP53 2474/4885
US-10548877-B2 Aromatic ring compound CHRM1, CHRM2, CHRM4 NPC1 1112/4885RAB9A 869/4885TP53 2474/4885

“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.