SCHEMBL3348775

SCHEMBL3348775

Nc1cc(-c2cc[nH]n2)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.43
KIF11 P52732 2/20 0.42
MPL P40238 1/20 0.37
ACHE P22303 5/20 0.34
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 2/20 0.33
PIK3CD O00329 1/20 0.32
ULK1 O75385 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
KMO O15229 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5201371 0.79 TDP1 (0.50) CYP11B2CYP11B1GLAPOLBGAA
SCHEMBL3348770 0.78 CASP1 (0.39) NOTUMKMOKDM4E
SCHEMBL15012113 0.77 NOTUM (0.61) NOTUM
SCHEMBL8174858 0.76 KIF11 (0.61) KIF11CYP11B2CYP11B1PIK3CDGLA
SCHEMBL22179809 0.75 TNF (0.45) PIK3CD
SCHEMBL3342681 0.75 TSHR (0.44) CYP11B1TSHRKDM4E
SCHEMBL27394120 0.75 ALDH1A1 (0.41) MPL
SCHEMBL21996361 0.74 AR (0.54)
SCHEMBL28242340 0.74 NOTUM (0.40) NOTUMMPLKMO
SCHEMBL1763375 0.72 KIF11 (0.47) NOTUMKIF11POLBKDM4E

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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 NOTUM 4864/4885KIF11 4482/4885MPL 1101/4885

“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.