SCHEMBL2596444

SCHEMBL2596444

COC(=O)c1cc(I)c(N)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.66
KDM4E B2RXH2 5/20 0.64
CFTR P13569 2/20 0.53
POLB P06746 1/20 0.50
NQO2 P16083 1/20 0.49
ACHE P22303 3/20 0.46
HTR4 Q13639 3/20 0.46
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
ABL1 P00519 1/20 0.44
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 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
SCHEMBL23874532 0.93 GAA (0.61) GAAKDM4ECFTRPOLBNQO2
SCHEMBL857614 0.86 KDM4E (0.74) GAAKDM4ECFTRPOLBNQO2
SCHEMBL29424850 0.85 GAA (0.74) GAAKDM4ECFTRPOLBHTR4
SCHEMBL24413993 0.85 CFTR (0.58) GAAKDM4ECFTRPOLBNQO2
SCHEMBL6473999 0.85 GAA (0.74) GAAKDM4ECFTRPOLBHTR4
SCHEMBL7801336 0.84 ALDH1A1 (0.54) GAAKDM4ECFTRACHEHTR4
SCHEMBL12677220 0.84 KDM4E (0.47) GAAKDM4ECFTRPOLBNQO2
SCHEMBL11568484 0.84 KDM4E (0.76) GAAKDM4ECFTRPOLBHTR4
SCHEMBL16400171 0.81 HTR4 (0.48) GAAKDM4ECFTRACHEHTR4
SCHEMBL1918973 0.81 GAA (0.50) GAAKDM4ECFTRPOLBALDH1A1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743068-B1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS INC (US) 2026-04-29 EP disclosed
EP-4601635-A2 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF Maze Therapeutics, Inc. (US) 2025-08-20 EP disclosed
US-12195475-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2025-01-14 US disclosed
CN-112312909-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-07-02 CN disclosed
US-20240199546-A1 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF HERCULES CAPITAL, INC., AS AGENT 2024-06-20 US disclosed
WO-2024081748-A2 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-04-18 WO disclosed
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
EP-2935211-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-28 EP disclosed
CN-104854087-A As P2X7Indole carboxamide derivatives of receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-08-19 CN disclosed
CN-102892765-B Cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL SA 2015-04-29 CN disclosed
WO-2014097140-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-26 WO disclosed
EP-2746250-A1 Precursors and process for the production of 18F-labelled amino acids ABX Advanced Biochemical Compounds GmbH (DE) 2014-06-25 EP disclosed
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2013-10-24 US disclosed
EP-2569308-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2013-03-20 EP disclosed
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES PRAT QUINONES MARIA (ES) 2013-02-28 US disclosed
CN-102892765-A Novel cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL SA 2013-01-23 CN disclosed
WO-2011141180-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2011-11-17 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 (6 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 GAA 403/4885KDM4E 2929/4885CFTR 963/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 GAA 403/4885KDM4E 2929/4885CFTR 963/4885
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 GAA 3174/4885KDM4E 3728/4885CFTR 265/4885
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 GAA 3262/4885KDM4E 3836/4885CFTR 277/4885
US-12195475-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 GAA 403/4885KDM4E 2929/4885CFTR 963/4885
US-20240199546-A1 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF SLC6A19, SLC2A9, SLC6A3 GAA 249/4885KDM4E 3995/4885CFTR 314/4885

“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.