SCHEMBL6095310

SCHEMBL6095310

CCCCNc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TYRO3 Q06418 4/20 0.39
MERTK Q12866 4/20 0.39
AXL P30530 3/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
FLT3 P36888 2/20 0.36
GAS6 Q14393 2/20 0.36
LMNA P02545 1/20 0.36
EHMT2 Q96KQ7 1/20 0.35

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
SCHEMBL6092075 0.94 HCAR3 (0.40) HCAR3ALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL6093288 0.90 ROCK2 (0.39) HCAR3ALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL6093483 0.89 HCAR3 (0.43) HCAR3ALDH1A1MAPK1MAPTNPSR1
SCHEMBL6095908 0.86 HCAR3 (0.41) HCAR3ALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL6093985 0.85 ROCK2 (0.35) SMN1; SMN2RAB9ANPC1MAPTNPSR1
SCHEMBL6092785 0.85 KIT (0.41) ALDH1A1SMN1; SMN2MAPTHSD17B10ROCK2
SCHEMBL6394774 0.85 ROCK2 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL6093234 0.84 KMT2A (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL6092145 0.82 LCK (0.40) MERTKLMNA
SCHEMBL6092453 0.81 HTR2C (0.44) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1

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-7109351-B1 Fused pyrrolecarboxamides; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2006-09-19 US disclosed
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 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-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands GABRB2, GABRB1, GABRB3 HCAR3 113/4885ALDH1A1 2117/4885MAPK1 4776/4885

“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.