SCHEMBL14476733

SCHEMBL14476733

O=CCCc1nncn1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.45
▸ QPCT Q16769 2/20 0.38
▸ QPCTL Q9NXS2 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ SCN5A Q14524 1/20 0.36
▸ EPHB4 P54760 2/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ CHKA P35790 1/20 0.36
▸ TEK Q02763 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ PGGT1B P53609 1/20 0.34

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
SCHEMBL14476263 0.84 P2RX7 (0.47) P2RX7QPCTQPCTLMAOBHDAC6
SCHEMBL14476258 0.82 P2RX7 (0.50) P2RX7QPCTQPCTLMAOBHDAC6
SCHEMBL14476732 0.81 P2RX7 (0.46) P2RX7QPCTQPCTLMAOBHDAC6
SCHEMBL14476740 0.81 P2RX7 (0.49) P2RX7QPCTQPCTLMAOBHDAC6
SCHEMBL14476260 0.81 P2RX7 (0.49) P2RX7QPCTQPCTLMAOBHDAC6
SCHEMBL14476731 0.78 PLA2G7 (0.45) P2RX7QPCTQPCTLEPHB4CHKA
SCHEMBL11932723 0.75 MAOB (0.58) MAOBKIF11
SCHEMBL14476844 0.75 P2RX7 (0.54) P2RX7QPCTQPCTLMAOBHDAC6
SCHEMBL14476738 0.75 P2RX7 (0.44) P2RX7QPCTQPCTLMAOBHDAC6
SCHEMBL14476727 0.74 P2RX7 (0.46) P2RX7QPCTQPCTLMAOBKIF11

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
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

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 P2RX7 325/4885QPCT 1084/4885QPCTL 1806/4885

“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.

Send feedback