SCHEMBL19741706

SCHEMBL19741706

CC(NC(C)c1nccs1)c1cc(C(=O)O)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDM5C P41229 5/20 0.39
▸ KDM6B O15054 3/20 0.39
▸ KDM2A Q9Y2K7 3/20 0.39
▸ KDM3A Q9Y4C1 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ KDM4C Q9H3R0 2/20 0.39
▸ KDM4A O75164 4/20 0.39
▸ KDM5B Q9UGL1 4/20 0.39
▸ TET3 O43151 1/20 0.39
▸ BBOX1 O75936 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ ASPH Q12797 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ TET2 Q6N021 1/20 0.39
▸ ALKBH5 Q6P6C2 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
SCHEMBL19741717 1.00 MAPKAPK2 (0.40) MAPKAPK2NPC1RAB9AKDM5CKDM6B
SCHEMBL17144356 1.00 MAPKAPK2 (0.40) MAPKAPK2NPC1RAB9AKDM5CKDM6B
SCHEMBL17144630 0.78 ADORA3 (0.39) KDM5CKDM6BKDM2AKDM3AKDM4E
SCHEMBL17144358 0.76 NPC1 (0.39) NPC1RAB9AKDM5CKDM6BKDM2A
SCHEMBL17545205 0.74 GABRP (0.56) KDM5CKDM6BKDM2AKDM3AKDM4E
SCHEMBL1759894 0.72 KDM4C (0.55) KDM5CKDM6BKDM2AKDM3AKDM4E
SCHEMBL19741672 0.72 KDM4D (0.45) KDM5CKDM6BKDM2AKDM3AKDM4E
SCHEMBL17144445 0.72 KDM4D (0.45) KDM5CKDM6BKDM2AKDM3AKDM4E
SCHEMBL25933765 0.71 KDM4C (0.53) KDM5CKDM6BKDM2AKDM3AKDM4E
SCHEMBL21814162 0.70 NPC1 (0.48) MAPKAPK2NPC1RAB9AALDH1A1NAMPT

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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US claimed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US disclosed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A MAPKAPK2 3806/4885NPC1 3221/4885RAB9A 2763/4885

“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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