SCHEMBL5340339

SCHEMBL5340339

COc1ccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.88
NPC1 O15118 9/20 0.88
SMN1; SMN2 Q16637 2/20 0.78
TP53 P04637 1/20 0.78
ALOX15 P16050 1/20 0.78
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
KCNK9 Q9NPC2 1/20 0.73
FFAR1 O14842 1/20 0.69
ALDH1A1 P00352 3/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 1/20 0.68
PTGS2 P35354 1/20 0.68
CASP3 P42574 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
PGR P06401 2/20 0.66
HTT P42858 1/20 0.65
CYP2C9 P11712 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
KDM4E B2RXH2 1/20 0.64

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
SCHEMBL8769709 0.94 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4963650 0.94 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
Hydrochloric Acid SCHEMBL29693066 0.92 RAB9A (0.97) RAB9ANPC1SMN1; SMN2TP53ALOX15
Iodide SCHEMBL30758596 0.92 RAB9A (0.97) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2919439 0.90 RAB9A (0.87) RAB9ANPC1SMN1; SMN2TP53ALOX15
Nitrogen SCHEMBL28090858 0.89 RAB9A (0.90) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL11548282 0.89 RAB9A (0.90) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.88 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4789008 0.88 RAB9A (0.82) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL12010917 0.88 RAB9A (0.82) RAB9ANPC1SMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 WO disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
EP-1675844-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2006-07-05 EP disclosed
US-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2005-10-13 US disclosed
WO-2005042513-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE STERIX LIMITED (GB) 2005-05-12 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 (2 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-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD17B3 RAB9A 3856/4885NPC1 1239/4885SMN1; SMN2 4243/4885
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 RAB9A 4781/4885NPC1 840/4885SMN1; SMN2 3069/4885

“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.