SCHEMBL21523087

SCHEMBL21523087

N[C@H](CNC(=O)c1cccnc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
THRB P10828 1/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 1/20 0.53
PLOD2 O00469 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TSHR P16473 1/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL21523088 1.00 EPHX2 (0.65) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL4982059 0.85 NPC1 (0.67) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21523029 0.85 NPC1 (0.67) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8723879 0.84 NPC1 (0.72) EPHX2CYP2C9CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL5405392 0.84 NPC1 (0.65) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2795683 0.83 ROCK2 (0.64) MEN1KMT2ATHRBNPC1RAB9A
SCHEMBL1769568 0.83 MEN1 (0.62) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL1769571 0.83 MEN1 (0.62) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL10894686 0.81 KMT2A (0.68) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL21531699 0.80 EPHX2 (0.55) EPHX2CYP2C9CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 US disclosed
US-20190330141-A1 Compositions With A Cooling Effect THE PROCTER & GAMBLE COMPANY 2019-10-31 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-20190330141-A1 Compositions With A Cooling Effect CUTA, FABP4, EBP EPHX2 4043/4885CYP2C9 2406/4885CYP2C19 1411/4885

“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.