SCHEMBL1346207

SCHEMBL1346207

CC(C)c1ccc(-c2nn[nH]n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 1.00
NPC1 O15118 1/20 1.00
RAB9A P51151 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
ADH5 P11766 1/20 0.67
RPA1 P27694 1/20 0.63
ATM Q13315 1/20 0.58
XDH P47989 7/20 0.56
ALDH1A1 P00352 2/20 0.53
EIF4A3 P38919 1/20 0.53
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
OPRD1 P41143 1/20 0.49

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
SCHEMBL13934990 0.85 TP53 (0.74) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL20539688 0.85 TP53 (0.74) TP53NPC1RAB9ANPSR1ADH5
Hydrochloric Acid SCHEMBL4449070 0.84 TP53 (0.72) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL9984638 0.83 ADH5 (0.95) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL17204982 0.82 ADH5 (0.76) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL21983385 0.82 TP53 (0.70) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL21880317 0.80 TP53 (0.66) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL21983540 0.80 TP53 (0.66) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL5379467 0.80 NPC1 (0.64) TP53NPC1RAB9ANPSR1ADH5
SCHEMBL10053604 0.79 NPC1 (0.65) TP53NPC1RAB9ANPSR1ADH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-11299484-B2 Inhibiting fatty acid synthase (FASN) FORMA THERAPEUTICS, INC. (US) 2022-04-12 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
US-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2021-01-28 US disclosed
US-10875848-B2 Inhibiting fatty acid synthase (FASN) FORMA THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
EP-2942346-B1 PYRIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS INC (US) 2020-05-06 EP disclosed
US-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2020-04-16 US disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
US-8063082-B2 E.g., N-[(2-chlorophenyl)methyl]({[5-(4-ethylphenyl)(1,2,3,4-tetraazol-2-yl)]methyl}cyclopropyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-11-22 US disclosed
US-8063082-B2 E.g., N-[(2-chlorophenyl)methyl]({[5-(4-ethylphenyl)(1,2,3,4-tetraazol-2-yl)]methyl}cyclopropyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-11-22 US disclosed
US-8063082-B2 E.g., N-[(2-chlorophenyl)methyl]({[5-(4-ethylphenyl)(1,2,3,4-tetraazol-2-yl)]methyl}cyclopropyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-11-22 US disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 US disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 US disclosed
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US disclosed
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US disclosed
US-20080132548-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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 (9 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 TP53 974/4885NPC1 2177/4885RAB9A 1958/4885
US-10875848-B2 Inhibiting fatty acid synthase (FASN) FASN, SCD, FADS1 TP53 3284/4885NPC1 287/4885RAB9A 2980/4885
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS TP53 275/4885NPC1 868/4885RAB9A 35/4885
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR1, CXCR3 TP53 437/4885NPC1 3320/4885RAB9A 2597/4885
US-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 TP53 3284/4885NPC1 287/4885RAB9A 2980/4885
US-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 TP53 3284/4885NPC1 287/4885RAB9A 2980/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS TP53 1344/4885NPC1 403/4885RAB9A 31/4885
US-20080132548-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 TP53 2206/4885NPC1 4684/4885RAB9A 2065/4885
US-11299484-B2 Inhibiting fatty acid synthase (FASN) FASN, SCD, FADS1 TP53 3284/4885NPC1 287/4885RAB9A 2980/4885

“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.