SCHEMBL7062380

SCHEMBL7062380

O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.[LiH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TP53 P04637 1/20 0.62
TDP1 Q9NUW8 1/20 0.59
CES1 P23141 3/20 0.53
CES2 O00748 2/20 0.53
SRD5A2 P31213 1/20 0.53
ALOX5 P09917 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP19A1 P11511 1/20 0.52
LMNA P02545 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CASP6 P55212 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CASR P41180 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL29944162 0.98 CYP3A4 (0.65) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL132541 0.98 CYP3A4 (0.65) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL6347695 0.95 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL9092526 0.95 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
Hydrochloric Acid SCHEMBL1905625 0.95 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL12393448 0.95 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL28837769 0.95 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
Water SCHEMBL9103534 0.95 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
SCHEMBL28837773 0.95 CYP3A4 (0.63) CYP3A4SMN1; SMN2TP53TDP1CES1
Methyl Alcohol SCHEMBL27399292 0.93 CYP3A4 (0.61) CYP3A4SMN1; SMN2TP53TDP1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116826208-A Lithium supplementing positive electrode material, preparation method and application of lithium nitrobenzoate, lithium ion battery and electric equipment 蜂巢能源科技(无锡)有限公司 2023-09-29 CN claimed
EP-0947879-B1 Kit for photographic color developing bath EASTMAN KODAK CO (US) 2003-05-21 EP claimed
US-6010835-A Kit for photographic color developing bath EASTMAN KODAK COMPANY (US) 2000-01-04 US claimed
EP-0947879-A1 Kit for photographic color developing bath EASTMAN KODAK COMPANY (US) 1999-10-06 EP claimed
US-20240014395-A1 NITRO-SUBSITUTED AROMATIC COMPOUNDS FOR USE IN ELECTRODES YE, ZHIBIN, DR. (CA) 2024-01-11 US disclosed
CN-116826208-A Lithium supplementing positive electrode material, preparation method and application of lithium nitrobenzoate, lithium ion battery and electric equipment 蜂巢能源科技(无锡)有限公司 2023-09-29 CN disclosed
WO-2021108901-A1 NITRO-SUBSITUTED AROMATIC COMPOUNDS FOR USE IN ELECTRODES VALORBEC, S.E.C. (CA) 2021-06-10 WO disclosed
EP-0947879-B1 Kit for photographic color developing bath EASTMAN KODAK CO (US) 2003-05-21 EP disclosed
US-6010835-A Kit for photographic color developing bath EASTMAN KODAK COMPANY (US) 2000-01-04 US disclosed
EP-0947879-A1 Kit for photographic color developing bath EASTMAN KODAK COMPANY (US) 1999-10-06 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-20240014395-A1 NITRO-SUBSITUTED AROMATIC COMPOUNDS FOR USE IN ELECTRODES NQO1, NOX4, NES CYP3A4 106/4885SMN1; SMN2 2264/4885TP53 1944/4885

“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.