SCHEMBL4515413

SCHEMBL4515413

COC(=O)c1ccc(C(=O)NCC(=O)COCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
NPC1 O15118 4/20 0.48
MGLL Q99685 1/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
SPHK2 Q9NRA0 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL14505701 0.83 MAPK14 (0.52) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9233919 0.80 TSHR (0.62) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4511887 0.78 SMN1; SMN2 (0.54) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5639821 0.77 KMT2A (0.57) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4749069 0.77 KMT2A (0.74) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3374934 0.76 SMN1; SMN2 (0.68) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1931500 0.76 CA1 (0.54) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2351707 0.76 RAB9A (0.70) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4687356 0.75 MAPT (0.62) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7272416 0.75 MGLL (0.74) RAB9AMAPTSMN1; SMN2MEN1KMT2A

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 RAB9A 2807/4885MAPT 2985/4885SMN1; SMN2 1650/4885

“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.