SCHEMBL3322328

SCHEMBL3322328

c1ccc(Nc2cccc3oc(-c4cc[nH]n4)nc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CDC25B P30305 1/20 0.36
ATM Q13315 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
SCHEMBL9718845 0.73 RAB9A (0.60) ALDH1A1GAARAB9ANPC1PKM
SCHEMBL3498646 0.73 NPC1 (0.54) ALDH1A1GAARAB9ANPC1PKM
SCHEMBL970884 0.67 NPC1 (0.31) ALDH1A1RAB9ANPC1PKMSMN1; SMN2
SCHEMBL24155568 0.65 NPC1 (0.57) ALDH1A1GAARAB9ANPC1PKM
SCHEMBL834683 0.63 MAPT (0.50) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL16004922 0.62 MEN1 (0.46) ALDH1A1GAARAB9ANPC1PKM
SCHEMBL6420569 0.61 PRKCD (0.55) RAB9ANPC1ATMMAPT
SCHEMBL6644807 0.60 ALDH1A1 (0.50) ALDH1A1GAARAB9ANPC1PKM
Bromide SCHEMBL3354419 0.60 KMT2A (0.58) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL28418261 0.60 MAPT (0.50) ALDH1A1GAARAB9ANPSR1TP53

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-20100120839-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB 2010-05-13 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-20100120839-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION ALOX15, ALOX12, ALOX15B PSEN1 2607/4885PSEN2 2552/4885APH1B 1822/4885

“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.