SCHEMBL3594555

SCHEMBL3594555

O=C1CCc2c([N+](=O)[O-])ccc(O)c2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
HIF1A Q16665 1/20 0.44
GPR35 Q9HC97 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CTSB P07858 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39

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
SCHEMBL7091144 0.79 DRD2 (0.47) CYP11B1CYP11B2DRD2DRD3DRD1
SCHEMBL29777578 0.75 MAPT (0.41) MAPK1ALDH1A1CYP11B1CYP11B2MAPT
SCHEMBL9483715 0.75 GPR35 (0.42) SMN1; SMN2TP53HPGDTSHRCYP3A4
SCHEMBL11625437 0.73 DRD2 (0.46) SMN1; SMN2HPGDDRD2DRD3DRD1
Hydrochloric Acid SCHEMBL11623086 0.72 DRD2 (0.45) SMN1; SMN2HPGDDRD2DRD3DRD1
SCHEMBL3601203 0.72 SMN1; SMN2 (0.56) SMN1; SMN2TP53HPGDTSHRCYP3A4
SCHEMBL28616282 0.71 DRD2 (0.41) L3MBTL1DRD2DRD3DRD1DRD4
SCHEMBL3594575 0.71 KIF11 (0.46) GPR35MAPTPOLBNPC1TDP1
SCHEMBL10215352 0.70 ADRB1 (0.50) HPGDALDH1A1DRD2DRD3DRD1
SCHEMBL11250001 0.70 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5

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 4 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
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN disclosed
US-4072683-A BETA-ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1978-02-07 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 SMN1; SMN2 1047/4885TP53 3619/4885HPGD 2117/4885

“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.