SCHEMBL14901035

SCHEMBL14901035

O=C(Cc1ccc2c(c1)OCO2)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.66
NPC1 O15118 5/20 0.65
HPGD P15428 1/20 0.65
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
PKM P14618 2/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
FAAH O00519 1/20 0.59
TSHR P16473 1/20 0.59
MAPK8 P45983 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
EPHX2 P34913 2/20 0.57
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL179015 0.88 RAB9A (0.71) RAB9ANPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL11695764 0.86 RAB9A (0.76) RAB9ANPC1HPGDALDH1A1PKM
SCHEMBL16085741 0.83 NLRP3 (0.60) RAB9ANPC1HPGDALDH1A1CYP1A2
SCHEMBL7237114 0.81 HSD17B10 (0.61) RAB9ANPC1HPGDALDH1A1CYP1A2
SCHEMBL4343783 0.81 P2RX4 (0.56) RAB9ANPC1HPGDALDH1A1CYP1A2
SCHEMBL21933248 0.81 RAB9A (0.63) RAB9ANPC1HPGDKDM4ESMN1; SMN2
SCHEMBL29609862 0.81 P2RY14 (0.69) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL28352889 0.81 P2RY14 (0.69) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL8636561 0.80 MAPK8 (0.67) RAB9ANPC1HPGDALDH1A1CYP1A2
SCHEMBL8574155 0.79 ALDH1A1 (0.62) RAB9ANPC1HPGDALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109714-A1 NEURODEGENERATIVE DISEASE THERAPEUTIC AGENT NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-05-02 US 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-20130109714-A1 NEURODEGENERATIVE DISEASE THERAPEUTIC AGENT SNCA, NLN, GAP43 RAB9A 924/4885NPC1 508/4885HPGD 1093/4885

“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.