SCHEMBL7672864

SCHEMBL7672864

Oc1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.75
CYP11B2 P19099 8/20 0.75
TNF P01375 1/20 0.75
HTT P42858 5/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
MAPK1 P28482 2/20 0.73
LMNA P02545 4/20 0.71
HDAC1 Q13547 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
TSHR P16473 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 1/20 0.57
FGFR1 P11362 1/20 0.54
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MET P08581 1/20 0.51
BRD4 O60885 1/20 0.51

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
SCHEMBL13907295 0.91 CYP11B1 (0.89) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL230002 0.86 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL31357411 0.86 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL14042406 0.85 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL8325011 0.85 CYP11B1 (0.77) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL11313566 0.84 HTT (0.77) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL17531385 0.84 CYP11B1 (0.67) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL17531404 0.84 CYP11B1 (0.63) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL3966422 0.83 CYP11B1 (0.75) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL2022520 0.83 CYP11B1 (0.75) CYP11B1CYP11B2TNFHTTSMN1; SMN2

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
CN-116194439-B SOCE inhibitors and therapeutic uses thereof 国家医疗保健研究所 2025-04-08 CN disclosed
CN-116194439-A SOCE inhibitors and therapeutic uses thereof 国家医疗保健研究所 2023-05-30 CN disclosed
WO-2021233994-A1 SOCE INHIBITORS AND THERAPEUTIC USES THEREOF INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-11-25 WO disclosed
EP-3912972-A1 SOCE INHIBITORS AND THERAPEUTIC USES THEREOF Centre Hospitalier Régional et Universitaire de Brest (FR) 2021-11-24 EP disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20020035092-A1 Inhibit binding of alpha-v integrins to their ligands, use in treatment of immune and inflammatory disorders; 3-(4-(2-Aminoethyl)benzamide)-3-(2-(4-(2-pyridylamino)methyl) phenoxy)-4-pyrimidinyl)propanoic acid CELLTECH THERAPEUTICS LIMITED 2002-03-21 US disclosed
US-6319922-B1 ALPHA-PYRIMIDYL-SUBSTITUTED; USEFUL FOR TREATING DISEASES INCLUDING INFLAMMATORY DISEASES, AND DISEASES INVOLVING ANGIOGENESIS, BONE RESORPTION OR CELLULAR OR MATRIX OVER-EXPANSION. CELLTECH THERAPEUTICS LIMITED (GB) 2001-11-20 US disclosed
EP-0034831-B1 SUBSTITUTED PHENOXY-AMINOPROPANOL DERIVATIVES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION AND MEDICAMENT CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-12-12 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 (3 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-20020035092-A1 Inhibit binding of alpha-v integrins to their ligands, use in treatment of immune and inflammatory disorders; 3-(4-(2-Aminoethyl)benzamide)-3-(2-(4-(2-pyridylamino)methyl) phenoxy)-4-pyrimidinyl)propanoic acid ITGA1, ITGB1, VCAM1 CYP11B1 1957/4885CYP11B2 2766/4885TNF 1848/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 CYP11B1 2110/4885CYP11B2 2253/4885TNF 4627/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 CYP11B1 3424/4885CYP11B2 3502/4885TNF 2956/4885

“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.