SCHEMBL14476246

SCHEMBL14476246

CCN(CC)Cc1cncn1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 8/20 0.48
▸ PGGT1B P53609 8/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ CYP11B1 P15538 4/20 0.40
▸ CYP11B2 P19099 4/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CHKA P35790 1/20 0.40
▸ EPHB4 P54760 1/20 0.39
▸ TEK Q02763 1/20 0.39
▸ FNTB P49356 2/20 0.39

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
SCHEMBL14476617 0.84 FNTA (0.51) FNTAPGGT1BIDO1CYP11B1CYP11B2
SCHEMBL14476248 0.83 CYP11B1 (0.57) FNTAPGGT1BIDO1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL15654401 0.83 FNTA (0.50) FNTAPGGT1BIDO1CYP11B1CYP11B2
SCHEMBL14476619 0.82 CYP11B1 (0.47) FNTAPGGT1BIDO1CYP11B1CYP11B2
SCHEMBL14476722 0.80 CYP11B1 (0.55) FNTAPGGT1BIDO1CYP11B1CYP11B2
SCHEMBL15692216 0.79 CYP11B1 (0.56) FNTAPGGT1BIDO1CYP11B1CYP11B2
SCHEMBL14476247 0.79 PLA2G7 (0.45) HRH3CHKAEPHB4TEK
SCHEMBL8187875 0.78 CYP11B1 (0.56) FNTAPGGT1BIDO1CYP11B1CYP11B2
SCHEMBL5891741 0.76 CYP11B1 (0.58) FNTAPGGT1BCYP11B1CYP11B2FNTB
Hydrochloric Acid SCHEMBL8227737 0.75 CYP11B1 (0.57) FNTAPGGT1BCYP11B1CYP11B2FNTB

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-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 — — US disclosed
US-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 — — US disclosed
EP-2725024-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-04-30 — — EP disclosed
WO-2013000267-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 中国科学院上海药物研究所 (CN) 2013-01-03 — — WO disclosed
WO-2013000108-A1 AZOLE HETEROCYLIC COMPOUNDS, PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国科学院上海药物研究所 (CN) 2013-01-03 — — 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 (1 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-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE PLA2G5, LTA4H, PLA2G4A FNTA 1265/4885PGGT1B 1721/4885HRH3 559/4885

“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.

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