SCHEMBL29430574

SCHEMBL29430574

CC(C)(C)OC(=O)Nc1ccc(Br)cc1N

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 15/20 0.65
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP17A1 P05093 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL3565747 1.00 AAK1 (0.65) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL28445012 0.88 AAK1 (0.65) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL30175900 0.86 AAK1 (0.49) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL1519234 0.86 AAK1 (0.49) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL22012941 0.85 AAK1 (0.64) AAK1SMN1; SMN2HDAC3HDAC1
SCHEMBL29995455 0.85 AAK1 (0.64) AAK1SMN1; SMN2HDAC3HDAC1
SCHEMBL64834 0.85 AAK1 (0.53) AAK1NPC1RAB9ASMN1; SMN2CYP17A1
SCHEMBL15160030 0.84 GAA (0.52) AAK1NPC1CYP17A1
SCHEMBL3410364 0.84 HPGD (0.49) AAK1SMN1; SMN2CYP17A1
SCHEMBL16515569 0.83 AAK1 (0.69) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637436-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2026-05-26 US disclosed
EP-4714938-A1 HDAC1/2 SELECTIVE INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2026-03-25 EP disclosed
CN-119192135-A HDAC1/2 selective inhibitors and uses thereof 微境生物医药科技(上海)有限公司 2024-12-27 CN disclosed
CN-119176770-A HDAC inhibitors, compositions and uses thereof 艾立康药业股份有限公司 2024-12-24 CN disclosed
WO-2024235218-A1 HDAC1/2 SELECTIVE INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2024-11-21 WO disclosed
US-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-07 US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
US-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 US disclosed
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-11-03 US disclosed
US-11447453-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2022-09-20 US disclosed
US-11377423-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2022-07-05 US disclosed
EP-3966196-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-03-16 EP disclosed
EP-3154954-B1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD BURNHAM MED RES INST (US) 2022-02-09 EP 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 (7 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-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS CHP1, ERAP1, QSOX1 AAK1 3831/4885NPC1 2957/4885RECQL 4131/4885
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS ERAP1, CHP1, QSOX1 AAK1 3666/4885NPC1 3102/4885RECQL 4409/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 AAK1 3774/4885NPC1 2881/4885RECQL 4322/4885
US-11447453-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 AAK1 684/4885NPC1 2618/4885RECQL 4637/4885
US-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 AAK1 684/4885NPC1 2618/4885RECQL 4637/4885
US-11377423-B2 Inhibitors of histone deacetylase HDAC3, HDAC1, HDAC11 AAK1 1279/4885NPC1 59/4885RECQL 3564/4885
US-12637436-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 AAK1 2227/4885NPC1 659/4885RECQL 4392/4885

“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.