SCHEMBL25722366

SCHEMBL25722366

COc1ccc(-n2c(=O)ccc3cccnc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.50
CYP1A2 P05177 8/20 0.50
CYP3A4 P08684 7/20 0.50
TSHR P16473 5/20 0.50
CYP2C19 P33261 5/20 0.50
CLK4 Q9HAZ1 4/20 0.50
CASP1 P29466 4/20 0.50
CASP7 P55210 4/20 0.50
LMNA P02545 2/20 0.50
HIF1A Q16665 1/20 0.50
USP2 O75604 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 1/20 0.47
PDE4B Q07343 1/20 0.46
KAT2B Q92831 1/20 0.46
MAPT P10636 1/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 3/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL11056945 0.82 CDK4 (0.51) ALDH1A1TSHRCYP2C19PDE4B
SCHEMBL29407807 0.81 HPGD (0.48) ALDH1A1CYP1A2CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL10722765 0.80 CDK4 (0.50) ALDH1A1TSHRCYP2C19PDE4B
SCHEMBL10674799 0.80 CYP3A4 (0.49) ALDH1A1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL25722367 0.80 MEN1 (0.44) MEN1KMT2APDE4BMAPTSMN1; SMN2
SCHEMBL27250846 0.78 PDE4B (0.46) ALDH1A1CYP1A2TSHRCYP2C19MEN1
SCHEMBL8835365 0.77 PKM (0.45) ALDH1A1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL11693860 0.76 LMNA (0.53) ALDH1A1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL2407901 0.76 PKM (0.52) ALDH1A1CYP1A2TSHRCLK4LMNA
SCHEMBL9402398 0.76 PKM (0.44) ALDH1A1CYP1A2CYP3A4TSHRCYP2C19

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-20230202980-A1 N-(2-Aminophenyl)-Prop-2-Enamide Derivatives, and Uses Thereof in the Treatment of Cancer THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2023-06-29 US disclosed
US-20230202980-A1 N-(2-Aminophenyl)-Prop-2-Enamide Derivatives, and Uses Thereof in the Treatment of Cancer THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2023-06-29 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-20230202980-A1 N-(2-Aminophenyl)-Prop-2-Enamide Derivatives, and Uses Thereof in the Treatment of Cancer SALL4, GLI2, GLI1 ALDH1A1 37/4885CYP1A2 3220/4885CYP3A4 3177/4885

“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.