SCHEMBL4500242

SCHEMBL4500242

COC(=O)c1ccc(-c2ncc(COCc3ccccc3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.47
▸ FAAH O00519 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ PKM P14618 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HDAC1 Q13547 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ MERTK Q12866 1/20 0.42

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
SCHEMBL29065955 0.81 HDAC1 (0.64) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL26759931 0.81 MAPT (0.51) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL9233919 0.79 TSHR (0.62) ARLMNAHPGDPKMKMT2A
Hydrochloric Acid SCHEMBL18641536 0.79 LOXL2 (0.53) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL18667203 0.78 ALDH1A1 (0.49) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL15932092 0.74 TSHR (0.47) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL13680636 0.74 MAPT (0.58) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL6030328 0.73 GABRA5 (0.53) LMNAHPGDPKMKMT2AMAPT
SCHEMBL459230 0.72 MAPT (0.54) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL9343582 0.72 SMN1; SMN2 (0.65) LMNAHPGDKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312556-A1 N-(2-AMINIPHENYL)-4-(5-((ETHYLAMINO)METHYL)-1,2-THIAZOL-2-YL) BENZAMIDE AND N-(2-AMINOPHENYL)-4-(5-((ISOPROPYLAMINO)METHYL)-1,2-THIAZOL-2-YL) BENZAMIDE AS HDAC INHIBITORS ASTRAZENECA R& D ALDERLY (GB) 2009-12-17 — — US disclosed
US-20090312556-A1 N-(2-AMINIPHENYL)-4-(5-((ETHYLAMINO)METHYL)-1,2-THIAZOL-2-YL) BENZAMIDE AND N-(2-AMINOPHENYL)-4-(5-((ISOPROPYLAMINO)METHYL)-1,2-THIAZOL-2-YL) BENZAMIDE AS HDAC INHIBITORS ASTRAZENECA R& D ALDERLY (GB) 2009-12-17 — — US disclosed
US-20090312556-A1 N-(2-AMINIPHENYL)-4-(5-((ETHYLAMINO)METHYL)-1,2-THIAZOL-2-YL) BENZAMIDE AND N-(2-AMINOPHENYL)-4-(5-((ISOPROPYLAMINO)METHYL)-1,2-THIAZOL-2-YL) BENZAMIDE AS HDAC INHIBITORS ASTRAZENECA R& D ALDERLY (GB) 2009-12-17 — — US disclosed
EP-1828153-A1 N-(2-AMINOPHENYL)-4-(5-((ETHYLAMINO)METHYL)-1,3-THIAZOL-2-YL)BENZAMIDE AND N-(2-AMINOPHENYL)-4-(5-((ISOPROPYLAMINO)METHYL)-1,3-THIAZOL-2-YL)BENZAMIDE AS HDAC INHIBITORS AstraZeneca AB (SE) 2007-09-05 — — EP disclosed
WO-2006064246-A1 N- (2-AMINOPHENYL) -4- (5- ((ETHYLAMINO) METHYL) 1,3-THIAZOL-2-YL) BENZAMIDE AND N- (2-AMINOPHEYNL) -4- (5- ((ISOPROPYLAMINO) METHYL) -1,3-THIAZOL-2-YL) BENZAMIDE AS HDAC INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 — — WO disclosed
WO-2006064246-A1 N- (2-AMINOPHENYL) -4- (5- ((ETHYLAMINO) METHYL) 1,3-THIAZOL-2-YL) BENZAMIDE AND N- (2-AMINOPHEYNL) -4- (5- ((ISOPROPYLAMINO) METHYL) -1,3-THIAZOL-2-YL) BENZAMIDE AS HDAC INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 — — 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 (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-20090312556-A1 N-(2-AMINIPHENYL)-4-(5-((ETHYLAMINO)METHYL)-1,2-THIAZOL-2-YL) BENZAMIDE AND N-(2-AMINOPHENYL)-4-(5-((ISOPROPYLAMINO)METHYL)-1,2-THIAZOL-2-YL) BENZAMIDE AS HDAC INHIBITORS HDAC1, HDAC2, HDAC5 AR 365/4885FAAH 2494/4885LMNA 364/4885

“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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