SCHEMBL16978733

SCHEMBL16978733

c1csc(-c2ccc3c(c2)sc2c4cc5cc6sc7c8ccc(-c9cccs9)cc8sc7c6cc5cc4sc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.39
▸ PGR P06401 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ERN1 O75460 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ ALK Q9UM73 1/20 0.36
▸ SLC6A11 P48066 1/20 0.36
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ CYP2E1 P05181 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL18470275 0.92 KCNH2 (0.50) KCNH2KDM4EPGRMAPTERN1
SCHEMBL18470267 0.85 LTA4H (0.44) KCNH2KDM4EPGRMAPTERN1
SCHEMBL20201645 0.84 LIMK1 (0.46) KCNH2KDM4EPGRMAPTERN1
SCHEMBL23046383 0.83 KCNH2 (0.42) KCNH2KDM4EPGRMAPTERN1
SCHEMBL17037106 0.83 KCNH2 (0.42) KCNH2KDM4EPGRMAPTERN1
SCHEMBL18470290 0.82 KDM4E (0.50) KCNH2KDM4EMAPTERN1LTA4H
SCHEMBL23612711 0.81 LIMK1 (0.46) KCNH2KDM4EMAPTLTA4HALK
SCHEMBL19916793 0.81 PGR (0.39) KCNH2KDM4EPGRMAPTSLC6A11
SCHEMBL15223448 0.81 PGR (0.48) KCNH2KDM4EPGRMAPTERN1
SCHEMBL15223464 0.81 PGR (0.48) KCNH2KDM4EPGRMAPTERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187493-B2 Heterocyclic compound and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-11-17 — — US disclosed
US-9187493-B2 Heterocyclic compound and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-11-17 — — US disclosed
US-20150218185-A1 Heterocyclic Compound And Use Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-06 — — US disclosed
US-20150218185-A1 Heterocyclic Compound And Use Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-06 — — US 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-20150218185-A1 Heterocyclic Compound And Use Thereof CCNE1, CRY1, CCNE2 KCNH2 1419/4885KDM4E 1764/4885PGR 2137/4885

“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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