SCHEMBL3342950

SCHEMBL3342950

Nc1cc(-c2ccn[nH]c2=O)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
NOTUM Q6P988 2/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
P2RX7 Q99572 2/20 0.39
MAP4K4 O95819 1/20 0.37
PARP1 P09874 3/20 0.36
CYP1A1 P04798 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
PIM1 P11309 1/20 0.34
MEN1 O00255 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
SCHEMBL3344619 0.81 LMNA (0.50) MAPTHSD17B10LMNACYP2C9CYP2C19
SCHEMBL3340311 0.81 NOTUM (0.36) NOTUMMAPTHSD17B10LMNACYP2C9
SCHEMBL3342946 0.80 BTK (0.43) NOTUMP2RX7PARP1CASP1IDO1
SCHEMBL8281266 0.77 NOTUM (0.71) NOTUMMAPTHSD17B10LMNACYP2C9
SCHEMBL14955413 0.77 NOTUM (0.43) NOTUMPDE3BPDE3AP2RX7IDO1
SCHEMBL17151369 0.76 SCN4A (0.46) BRD4NOTUMP2RX7PIM1IDO1
SCHEMBL5070318 0.76 KDR (0.41) BRD4MAPTLMNATDP1PDE3B
Hydrochloric Acid SCHEMBL30015576 0.75 SCN4A (0.45) BRD4NOTUMP2RX7PIM1IDO1
SCHEMBL3094563 0.75 NOTUM (0.56) NOTUMPDE3BPDE3AP2RX7IDO1
SCHEMBL3344634 0.73 BRD4 (0.53) BRD4MAPTHSD17B10LMNACYP2C9

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 BRD4 1409/4885NOTUM 4864/4885MAPT 2598/4885

“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.