SCHEMBL3341263

SCHEMBL3341263

Cn1c(C(N)=O)cc2cc[c]cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.43
MCL1 Q07820 3/20 0.42
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR2 P41597 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G10 O15496 2/20 0.35
F10 P00742 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
SCHEMBL3339080 0.87 SLC9A1 (0.43) SLC9A1MCL1KDM4EALDH1A1HSD17B10
SCHEMBL7579928 0.82 SLC9A1 (0.37) SLC9A1MCL1MEN1NPC1RAB9A
SCHEMBL3435894 0.80 CCR2 (0.41) MCL1KDM4EGPR35KMT2ACCR2
SCHEMBL2323444 0.76 MCL1 (0.71) SLC9A1MCL1MAPTMEN1NPC1
Hydrochloric Acid SCHEMBL28264080 0.75 MCL1 (0.69) SLC9A1MCL1MAPTMEN1NPC1
SCHEMBL3339358 0.74 GPR35 (0.39) SLC9A1MCL1KDM4EALDH1A1HSD17B10
SCHEMBL16480591 0.73 PLA2G10 (0.48) SLC9A1MCL1MAPTGPR35MEN1
SCHEMBL3483087 0.72 MCL1 (0.60) SLC9A1MCL1KDM4EALDH1A1HSD17B10
SCHEMBL17673679 0.72 MEN1 (0.34) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4882861 0.71 KDR (0.33) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 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 (2 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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread NR1I2, ITGA2, ITGB2 SLC9A1 1296/4885MCL1 2301/4885KDM4E 1548/4885
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 SLC9A1 486/4885MCL1 2825/4885KDM4E 2644/4885

“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.