SCHEMBL3274471

SCHEMBL3274471

CN(C)C(=O)c1ccc(CCl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
ACACB O00763 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PDK1 Q15118 3/20 0.42
PDK2 Q15119 2/20 0.42
PDK4 Q16654 2/20 0.42
HSD11B1 P28845 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PDK3 Q15120 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 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
SCHEMBL469503 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL9706241 0.82 EGFR (0.58) CA1CA2ALDH1A1SMN1; SMN2NR1H4
SCHEMBL8162349 0.82 CA1 (0.50) CA1CA2ALDH1A1SMN1; SMN2HPGD
SCHEMBL8579799 0.82 CA1 (0.50) CA1CA2ALDH1A1SMN1; SMN2HPGD
SCHEMBL1004649 0.82 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL16761855 0.81 MLYCD (0.51) CA1CA2ALDH1A1SMN1; SMN2HPGD
SCHEMBL16242064 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL4485529 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL505778 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL9449839 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011285-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2025-01-09 US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
EP-3558981-B1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2021-05-26 EP disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 WO disclosed
US-20160376293-A1 NICKEL PRE-CATALYSTS AND RELATED COMPOSITIONS AND METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-29 US disclosed
US-9382281-B2 Nickel pre-catalysts and related compositions and methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-07-05 US disclosed
US-9382281-B2 Nickel pre-catalysts and related compositions and methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-07-05 US disclosed
EP-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP disclosed
CN-1211246-A Novel substituted N-methyl-N-(4-(1H-benzimidazol-2-yl-amino) piperidin-1-yl)-2-(aryl) butyl) benzamides useful for treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1999-03-17 CN disclosed
CN-1211248-A Novel substituted N-methyl-N-(4-(4-(1H-benzimidazol-2-yl) [1,4] diazepan-1-yl)-1-(aryl) butyl) benzamides useful for treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1999-03-17 CN disclosed
CN-1207097-A Novel substituted 4- (1H-benzimidazol-2-yl) [1,4] diazepanes useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1999-02-03 CN disclosed
EP-0888336-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
CN-1202894-A Substituted 4-(1H-benzimidzol-2-yl-amino) piepridines useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1998-12-23 CN disclosed
EP-0874843-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-11-04 EP disclosed
WO-1997030989-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
WO-1997022604-A1 NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-06-26 WO disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 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 (4 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-20250011285-A1 CYP11A1 INHIBITORS CYP11B1, CYP19A1, CYP11B2 CA1 1930/4885CA2 1656/4885ALDH1A1 188/4885
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS CA1 3602/4885CA2 3765/4885ALDH1A1 3621/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS CA1 4355/4885CA2 3982/4885ALDH1A1 3277/4885
US-20160376293-A1 NICKEL PRE-CATALYSTS AND RELATED COMPOSITIONS AND METHODS SOD1, NIT2, MPO CA1 248/4885CA2 660/4885ALDH1A1 3982/4885

“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.