SCHEMBL3605239

SCHEMBL3605239

[NH]c1cccc2c1NC(=O)OC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TYMS P04818 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
AHR P35869 1/20 0.33
TDP2 O95551 1/20 0.31

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
SCHEMBL436140 0.79 HTR5A (0.44) MAOAMAOBKDM4EALDH1A1TYMS
SCHEMBL3605242 0.79 MAOA (0.37) MAOAMAOBKDM4EALDH1A1TYMS
SCHEMBL14805480 0.79 ALDH1A1 (0.39) MAOAMAOBKDM4EALDH1A1TYMS
SCHEMBL3604854 0.73 CYP11B1 (0.36) ALDH1A1CYP11B1CYP11B2
SCHEMBL3599771 0.71 NR3C2 (0.47) ALDH1A1CYP11B1CYP11B2AHR
SCHEMBL3593737 0.70 NPC1 (0.50) KDM4ECYP1A2CYP11B1CYP11B2AHR
SCHEMBL464780 0.69 AHR (0.50) MAOAMAOBKDM4EALDH1A1TYMS
SCHEMBL3639275 0.69 CA12 (0.37) CYP11B1CYP11B2AHR
Hydrochloric Acid SCHEMBL10918416 0.68 AHR (0.48) MAOAMAOBKDM4EALDH1A1TYMS
SCHEMBL3593391 0.67 RXFP1 (0.36) KDM4EALDH1A1AHR

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 MAOA 1461/4885MAOB 1349/4885KDM4E 2284/4885

“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.