SCHEMBL16627562

SCHEMBL16627562

CC(=N)NCCCC[C@H](C)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PAOX Q6QHF9 3/20 0.34
▸ CA1 P00915 2/20 0.34
▸ EPHX1 P07099 4/20 0.34
▸ FOLH1 Q04609 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ KISS1R Q969F8 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ ALDH1A2 O94788 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
SCHEMBL14509061 0.94 KISS1R (0.38) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL18233190 0.94 KISS1R (0.38) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL26903459 0.85 ALOX15 (0.41) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL17898609 0.85 ALOX15 (0.41) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL14644875 0.84 KDM4E (0.60) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL21041793 0.84 KDM4E (0.60) KDM4EMAPK1HIF1AMEN1KMT2A
Hydrochloric Acid SCHEMBL6380682 0.84 ITGB3 (0.44) KDM4EMAPK1HIF1APAOXEPHX1
SCHEMBL15030995 0.81 BLM (0.46) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL18233928 0.81 BLM (0.46) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL21578389 0.79 LMNA (0.39) KDM4EMAPK1HIF1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260398-B2 Dendrimer like amino amides possessing sodium channel blocker activity for the treatment of dry eye and other mucosal diseases PARION SCIENCES, INC. (US) 2016-02-16 — — US disclosed
US-20150099764-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. (US) 2015-04-09 — — 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-20150099764-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G KDM4E 3036/4885MAPK1 2645/4885HIF1A 3462/4885

“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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