SCHEMBL31370177

SCHEMBL31370177

O=C(O)CNCCn1ccc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
HSD17B10 Q99714 2/20 0.60
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
CDK4 P11802 4/20 0.56
CCND1 P24385 4/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 1/20 0.54
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL29684637 0.82 LMNA (0.73) MAPK1HSD17B10KMT2ACYP1A2CYP3A4
SCHEMBL526317 0.82 LMNA (0.73) MAPK1HSD17B10KMT2ACYP1A2CYP3A4
SCHEMBL29560163 0.80 CDK4 (0.68) MAPK1HSD17B10KMT2AMTNR1AMTNR1B
SCHEMBL1967792 0.80 CDK4 (0.68) MAPK1HSD17B10KMT2AMTNR1AMTNR1B
SCHEMBL1269116 0.78 CDK4 (0.71) MAPK1HSD17B10KMT2AMTNR1AMTNR1B
SCHEMBL30582936 0.77 CDK4 (0.72) MAPK1HSD17B10KMT2AMTNR1AMTNR1B
SCHEMBL19783673 0.77 CDK4 (0.72) MAPK1HSD17B10KMT2AMTNR1AMTNR1B
SCHEMBL2404380 0.76 MTNR1A (0.60) MAPK1HSD17B10KMT2ACYP1A2CYP3A4
SCHEMBL6138108 0.76 KMT2A (0.69) MAPK1HSD17B10KMT2ACYP1A2CYP3A4
SCHEMBL1598786 0.75 KMT2A (1.00) MAPK1HSD17B10KMT2ACYP1A2CYP3A4

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MAPK1 3478/4885HSD17B10 3828/4885KMT2A 3415/4885

“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.