SCHEMBL15701629

SCHEMBL15701629

CC(C)c1ccc2ccc(OCCCN3CCCCC3)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ HRH3 Q9Y5N1 9/20 0.64
▸ DRD3 P35462 1/20 0.58
▸ PSMB1 P20618 1/20 0.57
▸ PSMB5 P28074 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.54

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
SCHEMBL15701628 0.99 MEN1 (0.74) MEN1KMT2AHRH3DRD3PSMB1
SCHEMBL15701623 0.90 HRH3 (0.73) MEN1KMT2AHRH3DRD3ALDH1A1
SCHEMBL15701622 0.87 MEN1 (0.61) MEN1KMT2AHRH3DRD3ALDH1A1
SCHEMBL492315 0.86 MEN1 (0.97) MEN1KMT2AHRH3PSMB1PSMB5
SCHEMBL5857827 0.85 MEN1 (0.94) MEN1KMT2AHRH3PSMB1PSMB5
SCHEMBL19287693 0.84 MEN1 (1.00) MEN1KMT2AHRH3PSMB1PSMB5
SCHEMBL15704237 0.84 KDM4E (0.68) MEN1KMT2AHRH3DRD3L3MBTL1
SCHEMBL14970452 0.83 HRH3 (0.89) HRH3DRD3
SCHEMBL15704202 0.82 KDM4E (0.66) MEN1KMT2AHRH3DRD3L3MBTL1
SCHEMBL21730111 0.82 MEN1 (0.67) MEN1KMT2AHRH3ALDH1A1LMNA

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-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 — — US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 — — 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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 MEN1 4470/4885KMT2A 2047/4885HRH3 4398/4885

“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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