SCHEMBL9246865

SCHEMBL9246865

C=C/C=C\C(=N)CNCc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ DNM1 Q05193 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL19882438 0.80 CHRM2 (0.41) CHRM2KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL7961155 0.76 CHRM2 (0.42) CHRM2KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL18639384 0.73 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL25211342 0.73 CHRM2 (0.68) CHRM2KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL14067286 0.71 CHRM2 (0.61) CHRM2KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL4550158 0.71 CHRM2 (0.43) CHRM2KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL3395752 0.71 SMN1; SMN2 (0.59) CHRM2KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL11569803 0.71 CHRM2 (0.53) CHRM2KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL230222 0.71 CHRM2 (0.70) CHRM2KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL29438821 0.71 CHRM2 (0.70) CHRM2KDM4ESMN1; SMN2ALDH1A1MEN1

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
EP-1482985-B1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARM INC (US) 2015-12-23 — — EP disclosed
US-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2012-05-31 — — US disclosed
US-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2012-05-31 — — 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-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands MMP8, MMP1, TIMP3 CHRM2 3690/4885KDM4E 2887/4885SMN1; SMN2 1583/4885

“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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