SCHEMBL12297776

SCHEMBL12297776

COc1cccc(Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.59
▸ KMT2A Q03164 11/20 0.59
▸ MAPT P10636 9/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ CYP1A2 P05177 3/20 0.59
▸ PKM P14618 2/20 0.59
▸ PTGS2 P35354 2/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ CLK1 P49759 1/20 0.59
▸ GSK3A P49840 1/20 0.59
▸ GSK3B P49841 1/20 0.59
▸ CDK5 Q00535 1/20 0.59
▸ CDK5R1 Q15078 1/20 0.59
▸ SMN1; SMN2 Q16637 6/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ GAA P10253 4/20 0.59

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
SCHEMBL12298266 0.84 TUBB4A (0.64) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL12297334 0.80 MAPT (0.61) MEN1KMT2AMAPTNPC1CYP3A4
SCHEMBL16208517 0.79 KIF11 (0.72) MEN1KMT2AMAPTCYP1A2PKM
SCHEMBL18114158 0.79 SMN1; SMN2 (0.63) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL13224475 0.79 ALOX5 (0.58) MEN1KMT2AMAPTNPC1CYP1A2
Hydrochloric Acid SCHEMBL8524166 0.78 MAPT (0.70) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL12297791 0.78 MEN1 (0.84) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL12297320 0.76 MEN1 (0.80) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL12297176 0.76 MEN1 (0.80) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL6199558 0.76 CYP1A1 (0.61) MEN1KMT2AMAPTNPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 — — US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 — — US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 — — US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 — — US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 — — US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 — — US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 — — US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 — — US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — 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 (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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 MEN1 2959/4885KMT2A 3770/4885MAPT 10/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 MEN1 2959/4885KMT2A 3770/4885MAPT 10/4885

“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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