SCHEMBL3481109

SCHEMBL3481109

Cn1ccc2ccc(N3Cc4ccc(-c5cccnc5)cc4C3=O)cc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 3/20 0.51
▸ CYP11B2 P19099 9/20 0.44
▸ HTR1D P28221 1/20 0.43
▸ TDP2 O95551 2/20 0.41
▸ CYP11B1 P15538 8/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL13113569 0.92 MAP3K5 (0.51) MAP3K5CYP11B2TDP2CYP11B1CYP1A2
SCHEMBL13113595 0.89 TNF (0.44) MAP3K5CYP11B2MAPKAPK2MCHR1
SCHEMBL13113409 0.87 MCHR1 (0.48) MAP3K5MAPKAPK2MCHR1CYP3A4CYP2C19
SCHEMBL13113767 0.85 MAP3K5 (0.54) MAP3K5CYP11B2TDP2CYP11B1CYP1A2
SCHEMBL13113587 0.81 NPC1 (0.49) MAPKAPK2MCHR1
SCHEMBL13113578 0.81 TNF (0.44) MAP3K5MCHR1
SCHEMBL13872207 0.80 CYP11B1 (0.43) MAP3K5CYP11B2HTR1DTDP2CYP11B1
SCHEMBL13113354 0.79 MCHR1 (0.48) MAP3K5MCHR1CYP3A4CYP2C19HDAC6
SCHEMBL13871907 0.79 MAP3K5 (0.49) MAP3K5CYP11B2TDP2CYP11B1CYP1A2
SCHEMBL13113450 0.78 NPC1 (0.47) MCHR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215074-B1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES US HEALTH (US) 2014-02-19 — — EP disclosed
EP-2215074-B1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES US HEALTH (US) 2014-02-19 — — EP disclosed
EP-2573080-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 Human Services (US) 2013-03-27 — — EP disclosed
EP-2573080-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 Human Services (US) 2013-03-27 — — EP 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
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
EP-2215074-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 Human Services (US) 2010-08-11 — — EP disclosed
WO-2009042907-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 HUMAN SERVICES (US) 2009-04-02 — — WO 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 MAP3K5 4170/4885CYP11B2 2631/4885HTR1D 1937/4885

“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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