SCHEMBL6654544

SCHEMBL6654544

CCCOC(=O)c1cccc(C)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPK1 P28482 2/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 6/20 0.57
HPGD P15428 3/20 0.56
LMNA P02545 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
GLA P06280 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 4/20 0.46
TP53 P04637 1/20 0.45
CYP3A4 P08684 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
SCHEMBL6653298 0.92 TSHR (0.59) POLBMEN1KMT2AMAPK1MAPT
SCHEMBL6657026 0.91 TSHR (0.60) POLBMEN1KMT2AMAPK1MAPT
SCHEMBL6656676 0.90 MEN1 (0.68) POLBMEN1KMT2AMAPK1MAPT
SCHEMBL6655348 0.89 ALDH1A1 (0.61) POLBMEN1KMT2AMAPK1MAPT
SCHEMBL17707774 0.84 ALDH1A1 (0.55) POLBMEN1KMT2AMAPK1MAPT
SCHEMBL17707766 0.84 ALDH1A1 (0.55) POLBMEN1KMT2AMAPK1MAPT
SCHEMBL17707783 0.84 ALDH1A1 (0.55) POLBMEN1KMT2AMAPK1MAPT
SCHEMBL16154023 0.83 ALDH1A1 (0.54) POLBMEN1KMT2AMAPK1MAPT
SCHEMBL8787781 0.81 POLB (0.58) POLBMEN1KMT2AMAPK1MAPT
SCHEMBL1032670 0.80 ALDH1A1 (0.68) POLBMEN1KMT2AMAPK1MAPT

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
CN-1578760-A Process for producing(2-nitrophenyl)acetonitrile derivative and intermediate therefor IHARA CHEMICAL IND CO (JP) 2005-02-09 CN disclosed
US-20040199002-A1 Process for producing(2-nitrophenyl)acetonitrile derivative and intermediate therefor INDUSTRY CO., LTD. (JP) 2004-10-07 US disclosed
EP-1431278-A1 PROCESS FOR PRODUCING (2-NITROPHENYL)ACETONITRILE DERIVATIVE AND INTERMEDIATE THEREFOR IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2004-06-23 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-20040199002-A1 Process for producing(2-nitrophenyl)acetonitrile derivative and intermediate therefor DOHH, NCEH1, NOTUM POLB 1474/4885MEN1 1136/4885KMT2A 2730/4885

“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.