SCHEMBL3594550

SCHEMBL3594550

Nc1cc([N+](=O)[O-])ccc1CNCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 4/20 0.50
CYP3A4 P08684 3/20 0.50
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GFER P55789 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 3/20 0.48
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GRIN2B Q13224 1/20 0.45

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
SCHEMBL3423082 0.83 L3MBTL1 (0.51) MEN1KMT2AMAPTCYP3A4CRHBP
SCHEMBL3208212 0.80 MAPT (0.60) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL1041853 0.80 MEN1 (0.69) MEN1KMT2AMAPTCYP3A4CRHBP
SCHEMBL30482083 0.79 TSHR (0.59) MEN1KMT2AMAPTCYP3A4CRHBP
SCHEMBL1039984 0.79 TSHR (0.59) MEN1KMT2AMAPTCYP3A4CRHBP
SCHEMBL3594118 0.78 GAA (0.49) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL9395627 0.78 MAPT (0.70) MEN1KMT2AMAPTCYP3A4CRHBP
SCHEMBL3596469 0.77 CYP3A4 (0.54) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL6940724 0.76 MEN1 (0.61) MEN1KMT2AMAPTCYP3A4CYP1A2
SCHEMBL3594332 0.76 ALDH1A1 (0.50) MEN1KMT2AMAPTCYP3A4GFER

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 MEN1 2424/4885KMT2A 906/4885MAPT 4758/4885

“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.