SCHEMBL10014728

SCHEMBL10014728

[C-]#[N+]c1c(F)ccc(-c2cccc(N(C)C)c2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B14 Q9BPX1 1/20 0.36
▸ NOTUM Q6P988 2/20 0.35
▸ FYN P06241 7/20 0.35
▸ TRPV3 Q8NET8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ AURKA O14965 1/20 0.32

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
SCHEMBL10014736 0.81 AKR1C3 (0.42) FYNNPC1TP53RAB9ASMN1; SMN2
SCHEMBL10014735 0.79 FYN (0.39) HSD17B14NOTUMFYNTRPV3ALDH1A1
SCHEMBL10014743 0.77 AKR1C3 (0.45) ALDH1A1HSD17B10BRD4
SCHEMBL10014731 0.75 KEAP1 (0.37) HSD17B14NOTUMFYNTRPV3ALDH1A1
SCHEMBL12750058 0.75 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL10014732 0.72 FYN (0.43) HSD17B14NOTUMFYNALDH1A1TSHR
SCHEMBL10014729 0.71 HSD17B14 (0.41) HSD17B14FYNTRPV3ALDH1A1TSHR
SCHEMBL10014746 0.69 HSD17B14 (0.47) HSD17B14FYNALDH1A1KDM4ENPC1
SCHEMBL30602821 0.68 ALDH1A1 (0.58) NOTUMFYNALDH1A1TSHRKDM4E
SCHEMBL10014745 0.67 HSD17B14 (0.40) HSD17B14FYNALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120025177-A1 Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand SOLVAY SA (BE) 2012-02-02 — — 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-20120025177-A1 Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand PPIP5K2, HPRT1, PHPT1 HSD17B14 4318/4885NOTUM 4610/4885FYN 3882/4885

“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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