SCHEMBL2529997

SCHEMBL2529997

c1cn(Cc2ccc(-c3ccc(Cn4ccnc4)cc3)cc2)cn1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.86
CYP11B2 P19099 11/20 0.86
CYP17A1 P05093 1/20 0.86
CYP19A1 P11511 8/20 0.75
CYP2A6 P11509 1/20 0.75
CYP2B6 P20813 1/20 0.75
CYP1A2 P05177 1/20 0.71
POLB P06746 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
MAPT P10636 1/20 0.71
TBXAS1 P24557 1/20 0.71
QPCT Q16769 1/20 0.71
CYP4Z1 Q86W10 1/20 0.71
QPCTL Q9NXS2 1/20 0.71

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
SCHEMBL1024261 0.94 CYP11B1 (0.84) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL2033990 0.93 CYP11B1 (1.00) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
Hydrochloric Acid SCHEMBL1775141 0.91 CYP11B1 (0.81) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL6488945 0.91 CYP11B1 (0.90) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL6057476 0.88 CYP11B1 (0.75) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL570342 0.86 CYP11B1 (1.00) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL2729830 0.85 CYP11B1 (1.00) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL6878562 0.84 CYP11B1 (0.70) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL77025 0.84 CYP11B1 (1.00) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6
SCHEMBL7284368 0.84 CYP11B1 (0.73) CYP11B1CYP11B2CYP17A1CYP19A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632914-B2 Triazolium and imidazolium salts and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2014-01-21 US disclosed
US-20130210881-A1 ANTIMICROBIAL COMPOSITION AGENCY FOR SCIENCE ,TECHNOLOGY AND RESEARCH (SG) 2013-08-15 US disclosed
US-20130210881-A1 ANTIMICROBIAL COMPOSITION AGENCY FOR SCIENCE ,TECHNOLOGY AND RESEARCH (SG) 2013-08-15 US disclosed
US-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2011-10-20 US disclosed
WO-2010025558-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF AS ANTIMALARIALS UNIVERSITY HAEALTH NETWORK (CA) 2010-03-11 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-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF ARG2, ARG1, CIT CYP11B1 1050/4885CYP11B2 1276/4885CYP17A1 4352/4885
US-20130210881-A1 ANTIMICROBIAL COMPOSITION NOD2, MPO, NACA CYP11B1 4802/4885CYP11B2 4790/4885CYP17A1 4831/4885

“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.