SCHEMBL6656676

SCHEMBL6656676

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 2/20 0.68
MAPK1 P28482 1/20 0.68
POLB P06746 3/20 0.64
HPGD P15428 4/20 0.57
TSHR P16473 2/20 0.56
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.46

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
SCHEMBL6654544 0.90 POLB (0.60) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL18285205 0.88 TSHR (0.56) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL6653298 0.87 TSHR (0.59) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL3789796 0.86 ALDH1A1 (0.64) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL6657026 0.86 TSHR (0.60) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL6655348 0.85 ALDH1A1 (0.61) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL17707777 0.85 TSHR (0.53) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL3785486 0.85 TSHR (0.53) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL17707775 0.85 TSHR (0.53) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL17707781 0.85 TSHR (0.53) MEN1KMT2AMAPTMAPK1POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084772-A Nilapatinib intermediate, preparation method and method for preparing Nilapatinib by using same 重庆博腾制药科技股份有限公司 2024-05-28 CN disclosed
CN-111433577-B Temperature detection label and article management device using same 株式会社日立制作所 2021-09-21 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
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 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 MEN1 1136/4885KMT2A 2730/4885MAPT 3990/4885

“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.