SCHEMBL3604229

SCHEMBL3604229

CN1Cc2ccc([N+](=O)[O-])cc2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.53
CREBBP Q92793 1/20 0.53
AKR1B1 P15121 2/20 0.51
TDP2 O95551 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PGR P06401 1/20 0.42
CAPN9 O14815 1/20 0.42
CASP3 P42574 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PNMT P11086 3/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL14721486 0.88 BRD4 (0.59) BRD4CREBBPAKR1B1TDP2ALDH1A1
SCHEMBL2061201 0.82 TDP2 (0.47) AKR1B1TDP2ALDH1A1GAANPC1
SCHEMBL3607837 0.79 AKR1B1 (0.44) AKR1B1TDP2ALDH1A1GAANPC1
SCHEMBL2103994 0.78 ALDH1A1 (0.44) AKR1B1TDP2ALDH1A1GAANPC1
SCHEMBL5298639 0.75 CASP1 (0.53) TDP2ALDH1A1MAPTRAB9ALMNA
SCHEMBL23769053 0.75 ALDH1A1 (0.50) AKR1B1TDP2ALDH1A1GAANPC1
SCHEMBL28481900 0.75 PNMT (0.44) AKR1B1TDP2ALDH1A1GAANPC1
SCHEMBL2993057 0.74 TDP2 (0.67) TDP2ALDH1A1GAAMAPTRAB9A
SCHEMBL3599751 0.74 BRD4 (0.59) BRD4CREBBPGAAMAPTMEN1
SCHEMBL4123040 0.74 BRD4 (0.76) BRD4CREBBPAKR1B1TDP2MEN1

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 3 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

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 BRD4 706/4885CREBBP 2015/4885AKR1B1 522/4885

“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.