SCHEMBL13113707

SCHEMBL13113707

Cn1ccc2ccc(N3Cc4ccc(O)cc4C3=O)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ PKM P14618 3/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ CRBN Q96SW2 1/20 0.36
▸ HTR2C P28335 2/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NFKB1 P19838 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
SCHEMBL3481223 0.90 PRKCI (0.39) NPC1RAB9APKMCYP2A6MIF
SCHEMBL3481461 0.88 BACE1 (0.38) NPC1RAB9APKMCYP2A6HTR2C
SCHEMBL13113458 0.86 PRKCI (0.43) NPC1RAB9APKMCYP2A6CRBN
SCHEMBL13113450 0.86 NPC1 (0.47) NPC1RAB9APKMCYP2A6HTR2C
SCHEMBL13871874 0.85 CYP2A6 (0.34) CYP2A6MIFLPAR5
SCHEMBL13113424 0.85 HTR2C (0.48) NPC1RAB9APKMCYP2A6HTR2C
SCHEMBL13113370 0.84 NPC1 (0.56) NPC1RAB9APKMCYP2A6HTR2C
SCHEMBL13113108 0.83 MEN1 (0.46) NPC1RAB9APKMCYP2A6HTR2C
SCHEMBL13113721 0.83 HTR6 (0.46) NPC1RAB9APKMHTR2CSMN1; SMN2
SCHEMBL13113714 0.83 HTR7 (0.37) NPC1RAB9APKMCYP2A6HTR2C

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 NPC1 1441/4885RAB9A 985/4885PKM 2023/4885

“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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