SCHEMBL13621109

SCHEMBL13621109

CN1CCC(C(=O)NCC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.43
▸ ITGA2B P08514 3/20 0.43
▸ F2R P25116 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ BBOX1 O75936 1/20 0.40
▸ ASPH Q12797 1/20 0.40
▸ KDM8 Q8N371 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ HIF1AN Q9NWT6 1/20 0.40
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ PREP P48147 1/20 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
SCHEMBL27429172 0.85 HSD17B10 (0.40) ITGB3ITGA2BF2RKDM4ELMNA
SCHEMBL13621111 0.82 ITGB3 (0.60) ITGB3ITGA2BF2RHSD17B10GNAI3
SCHEMBL1653856 0.82 KMT2A (0.50) ITGB3ITGA2BHSD17B10ALDH1A1BBOX1
SCHEMBL12719407 0.81 BCHE (0.49) NPSR1GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL13006872 0.81 KDM4E (0.46) ITGB3ITGA2BKDM4ELMNAHTT
SCHEMBL13006885 0.81 HSD17B10 (0.42) ITGB3ITGA2BKDM4ELMNAHTT
SCHEMBL1651905 0.78 EPHX1 (0.55) HSD17B10ALDH1A1BBOX1ASPHKDM8
SCHEMBL845001 0.78 ALDH1A1 (0.52) HSD17B10ALDH1A1BBOX1ASPHKDM8
SCHEMBL12021613 0.78 KDM4E (0.55) KDM4ELMNAHTTHSD17B10ALDH1A1
SCHEMBL9348841 0.78 LMNA (0.49) ITGB3ITGA2BF2RLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552031-B2 3-ethylidenehydrazino substituted heterocyclic compounds as thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-08 — — US disclosed
US-8552031-B2 3-ethylidenehydrazino substituted heterocyclic compounds as thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-08 — — US disclosed
US-20090281317-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2009-11-12 — — 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-20090281317-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS MPL, TEK, THPO ITGB3 340/4885ITGA2B 583/4885F2R 5/4885

“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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