SCHEMBL8772822

SCHEMBL8772822

CCCNc1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 2/20 0.41
▸ IDO1 P14902 1/20 0.37
▸ TNIK Q9UKE5 1/20 0.36
▸ EDNRA P25101 1/20 0.36
▸ APP P05067 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ AR P10275 2/20 0.35
▸ CA9 Q16790 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ EPAS1 Q99814 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
SCHEMBL1924747 0.87 MAPT (0.57) MAPTGAAIDO1TNIKEDNRA
SCHEMBL14058913 0.86 MAPT (0.43) MAPTGAAALDH1A1CA1CA2
SCHEMBL11528091 0.85 MAPT (0.55) MAPTGAAIDO1APPALDH1A1
SCHEMBL22082127 0.83 ABL1 (0.51) MAPTALDH1A1
SCHEMBL27861311 0.83 ABL1 (0.51) MAPTALDH1A1
SCHEMBL11020309 0.80 MAPT (0.50) MAPTGAAIDO1TNIKEDNRA
SCHEMBL3795380 0.80 MAPT (0.48) MAPTGAAIDO1APPCA1
SCHEMBL5999111 0.78 MAPT (0.48) MAPTGAAALDH1A1
SCHEMBL12995616 0.78 MAPT (0.48) MAPTGAAIDO1TNIKEDNRA
SCHEMBL409332 0.78 MAPT (0.76) MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021255212-A1 BRAF DEGRADERS F. HOFFMANN-LA ROCHE AG (CH) 2021-12-23 — — WO disclosed
EP-2042171-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES (JP) 2011-05-11 — — EP disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-20100048611-A1 TETRAHYDROPYRROLOPYRIDINE, TETRAHYDROPYRAZOLOPYRIDINE, TETRAHYDRO-IMIDAZOPYRIDINE AND TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2010-02-25 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 — — US disclosed
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 — — US disclosed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 — — EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 — — EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 — — 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAPT 2110/4885GAA 210/4885IDO1 1325/4885
US-20100048611-A1 TETRAHYDROPYRROLOPYRIDINE, TETRAHYDROPYRAZOLOPYRIDINE, TETRAHYDRO-IMIDAZOPYRIDINE AND TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVES AND USE THEREOF TPMT, TYMP, THPO MAPT 2431/4885GAA 1959/4885IDO1 1776/4885

“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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