SCHEMBL3344322

SCHEMBL3344322

CCc1cc2c(cc1N)NC(=O)CO2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.57
MMP12 P39900 1/20 0.50
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 3/20 0.42
THRB P10828 3/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
NR3C2 P08235 1/20 0.40
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8306915 0.90 PARP1 (0.50) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL24823314 0.86 PARP1 (0.46) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL8307693 0.82 PARP1 (0.43) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL8305469 0.81 PARP1 (0.40) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL3342262 0.81 MMP12 (0.57) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL12333094 0.79 PARP1 (0.55) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL3791777 0.78 PARP1 (0.54) PARP1MMP12MAPTALDH1A1KMT2A
SCHEMBL8303156 0.78 MMP12 (0.57) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL7868455 0.78 MMP12 (0.49) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL3342717 0.78 MMP12 (0.49) PARP1MMP12MAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
EP-0548254-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1993-06-30 EP disclosed
WO-1992004345-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1992-03-19 WO disclosed
US-5091528-A Antiglaucoma, antidiarrhea agents, diuretics, vasoconstrictors ALLERGAN, INC. (US) 1992-02-25 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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 PARP1 1759/4885MMP12 3146/4885MAPT 2895/4885

“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.