SCHEMBL6370702

SCHEMBL6370702

CC(C)(C)c1ccc(-n2nccc2C2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 3/20 0.40
GALR3 O60755 2/20 0.40
TNF P01375 2/20 0.40
NR2F2 P24468 2/20 0.40
NOD1 Q9Y239 2/20 0.40
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KIF11 P52732 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 1/20 0.34

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
Hydrochloric Acid SCHEMBL16828087 0.89 GABRA1 (0.43) RAB9ANPC1GALR3TNFNR2F2
SCHEMBL19308723 0.81 PRCP (0.42) RAB9ANPC1GALR3TNFNR2F2
SCHEMBL16828049 0.79 PDK2 (0.44)
SCHEMBL16828052 0.79 PDK2 (0.44)
SCHEMBL23276373 0.78 KDM4E (0.35) RAB9ANPC1NPBWR1KDM4EHTT
SCHEMBL18176573 0.78 PRCP (0.40) RAB9ANPC1GALR3TNFNR2F2
Hydrochloric Acid SCHEMBL16827816 0.78 PLAT (0.36) HTTMEN1KMT2A
SCHEMBL1905014 0.78 POLB (0.50) RAB9ANPC1KDM4EHTTTP53
SCHEMBL6467002 0.77 OXTR (0.40) RAB9ANPC1NPBWR1MCHR1KDM4E
SCHEMBL16827886 0.75 HTR2C (0.53)

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-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 RAB9A 2153/4885NPC1 2064/4885GALR3 2612/4885

“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.