SCHEMBL10290564

SCHEMBL10290564

O=S(=O)(O)CCCn1ccc2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.38
▸ CYP24A1 Q07973 5/20 0.36
▸ CDK4 P11802 3/20 0.36
▸ CCND1 P24385 3/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ MCL1 Q07820 3/20 0.34
▸ BAD Q92934 1/20 0.34
▸ HTR6 P50406 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL848372 0.87 HTR2C (0.41) HTR2CCYP24A1CDK4CCND1CNR2
SCHEMBL851084 0.86 CDK4 (0.36) HTR2CCYP24A1CDK4CCND1CNR2
SCHEMBL849619 0.79 CDK4 (0.43) HTR2CCYP24A1CDK4CCND1CNR2
SCHEMBL5841409 0.77 CDK4 (0.44) HTR2CCYP24A1CDK4CCND1CNR2
SCHEMBL21359752 0.77 CDK4 (0.41) HTR2CCYP24A1CDK4CCND1MCL1
SCHEMBL30777412 0.77 CDK4 (0.41) HTR2CCYP24A1CDK4CCND1MCL1
SCHEMBL879762 0.77 HTR2C (0.44) HTR2CCDK4CCND1CNR2HTR6
SCHEMBL281893 0.76 CNR2 (0.49) HTR2CCDK4CCND1CNR2CNR1
SCHEMBL30418240 0.76 CDK4 (0.66) HTR2CCDK4CCND1
SCHEMBL28852853 0.75 HTR2C (0.41) HTR2CCDK4CCND1CNR2CNR1

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
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 — — US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 — — US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 — — US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 — — EP disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 — — 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 (2 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HTR2C 1039/4885CYP24A1 1380/4885CDK4 536/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HTR2C 1039/4885CYP24A1 1380/4885CDK4 536/4885

“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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