SCHEMBL13113595

SCHEMBL13113595

Cn1ccc2ccc(N3Cc4ccc(-c5cncnc5)cc4C3=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.44
▸ MAP3K5 Q99683 7/20 0.38
▸ MCHR1 Q99705 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ CTSD P07339 3/20 0.35
▸ BACE1 P56817 3/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ ADAM17 P78536 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
SCHEMBL13113578 0.92 TNF (0.44) TNFMAP3K5MCHR1PRMT5WDR77
SCHEMBL3481109 0.89 MAP3K5 (0.51) MAP3K5MCHR1MAPKAPK2CYP11B2
SCHEMBL13113409 0.86 MCHR1 (0.48) MAP3K5MCHR1MAPKAPK2PRMT5WDR77
SCHEMBL13113587 0.83 NPC1 (0.49) MCHR1MAPKAPK2ADAM17
SCHEMBL13113450 0.81 NPC1 (0.47) MCHR1
SCHEMBL13113458 0.81 PRKCI (0.43) MAPKAPK2MAPK1
SCHEMBL13113569 0.81 MAP3K5 (0.51) MAP3K5MCHR1LRRK2CYP11B2
SCHEMBL3481461 0.80 BACE1 (0.38) BACE1
SCHEMBL13113424 0.80 HTR2C (0.48) MCHR1CYP11B2
SCHEMBL13113707 0.80 NPC1 (0.37) —

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-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as represented by the Secretary, Department of Health and 2010-10-21 — — US disclosed
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as represented by the Secretary, Department of Health and 2010-10-21 — — 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-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, SYNCRIP, RNMT TNF 4726/4885MAP3K5 4170/4885MCHR1 2055/4885

“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.

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