SCHEMBL2406304

SCHEMBL2406304

Cc1ccc(-c2cccnc2C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
AGER Q15109 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MYC P01106 1/20 0.47
BRS3 P32247 1/20 0.46
SLC22A12 Q96S37 1/20 0.45
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
CYP1A2 P05177 1/20 0.44
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
METAP2 P50579 2/20 0.40
HCRTR1 O43613 2/20 0.40

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
SCHEMBL2323790 0.85 KDM4E (0.50) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL2406990 0.82 MAPT (0.47) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL2405487 0.81 MKNK1 (0.49) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL2406561 0.81 MAPT (0.46) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL287699 0.80 KDM4E (0.57) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL3389125 0.80 KDM4E (0.49) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL2559502 0.79 MAPT (0.50) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL2404881 0.78 KDM4E (0.44) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL5258713 0.78 KDM4E (0.50) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL21050082 0.78 NPC1 (0.55) KDM4EALDH1A1TSHRMYCBRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KDM4E 452/4885MAPT 1419/4885ALDH1A1 2292/4885

“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.