SCHEMBL13621182

SCHEMBL13621182

CC1CCN(CC(=O)NCc2ccccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.67
▸ HPGD P15428 2/20 0.55
▸ RECQL P46063 1/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ MDM2 Q00987 1/20 0.50
▸ KAT2A Q92830 1/20 0.50
▸ KAT2B Q92831 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ YWHAG P61981 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL13621137 0.85 ALDH1A1 (0.57) HPGDRECQLTSHRSMN1; SMN2POLB
SCHEMBL6690507 0.82 ALOX15 (0.59) HPGDRECQLTSHRSMN1; SMN2POLB
SCHEMBL13160339 0.82 EPHX2 (0.54) HPGDRECQLMEN1KMT2ATSHR
SCHEMBL29078401 0.81 ALDH1A1 (0.75) HTTRECQLTSHRSMN1; SMN2POLB
SCHEMBL29078398 0.80 ALDH1A1 (0.62) HPGDTSHRPOLBALDH1A1MDM2
SCHEMBL3837995 0.80 MAPK1 (0.58) HPGDTSHRSMN1; SMN2POLBALDH1A1
Hydrochloric Acid SCHEMBL3842578 0.79 MAPK1 (0.57) HPGDTSHRSMN1; SMN2POLBALDH1A1
SCHEMBL13621142 0.78 HTT (0.76) HTTHPGDTSHRSMN1; SMN2POLB
SCHEMBL7354647 0.77 HPGD (0.61) HTTHPGDRECQLMEN1KMT2A
SCHEMBL13621183 0.77 HTT (0.73) HTTHPGDKMT2ATSHRMAPT

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-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
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 HTT 1450/4885HPGD 1299/4885RECQL 4591/4885

“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