SCHEMBL1509448

SCHEMBL1509448

Nc1c(C(=O)O)cccc1[N+](=O)[O-].[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
CASP6 P55212 2/20 0.52
G6PD P11413 1/20 0.52
CASP7 P55210 1/20 0.52
DNA2 P51530 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
CTSD P07339 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR35 Q9HC97 1/20 0.47
LMNA P02545 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL162559 0.98 TSHR (0.64) TSHRCASP6G6PDCASP7DNA2
Hydrochloric Acid SCHEMBL27908306 0.96 TSHR (0.62) TSHRCASP6G6PDCASP7DNA2
SCHEMBL28935981 0.96 TSHR (0.62) TSHRCASP6G6PDCASP7DNA2
SCHEMBL1509450 0.96 TSHR (0.62) TSHRCASP6G6PDCASP7DNA2
SCHEMBL6206355 0.87 TSHR (0.55) TSHRCASP6DNA2CTDSP1TDP1
SCHEMBL8411975 0.85 TSHR (0.51) TSHRCASP6DNA2CTDSP1TDP1
SCHEMBL631453 0.84 ALDH1A1 (0.57) TSHRCASP6DNA2CTDSP1TDP1
SCHEMBL4245567 0.83 TSHR (0.55) TSHRCASP6G6PDCASP7DNA2
SCHEMBL7907999 0.82 CTSD (0.53) TSHRTDP1CTSDL3MBTL1ALDH1A1
SCHEMBL1509449 0.82 TSHR (0.49) TSHRCASP6DNA2CTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594592-B Preparation method and application of 2-chloro-3-nitrobenzoic acid 江西天宇化工有限公司 2024-03-19 CN disclosed
CN-115594592-A Preparation method and application of 2-chloro-3-nitrobenzoic acid 江西天宇化工有限公司(CN) 2023-01-13 CN disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 TSHR 2915/4885CASP6 1880/4885G6PD 1074/4885

“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.