Nitrobenzene

Nitrobenzene

SCHEMBL9768008

CC(C)[C@H](N)C(=O)O.O=[N+]([O-])c1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SLC7A5 Q01650 1/20 0.52
▸ SLC1A3 P43003 1/20 0.49
▸ SLC1A2 P43004 1/20 0.49
▸ SLC1A1 P43005 1/20 0.49
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ KMO O15229 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ TP53 P04637 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP2 P08253 1/20 0.43

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
Nitrobenzene SCHEMBL23406805 0.87 ALDH1A1 (0.61) ALDH1A1LMNASLC1A3SLC1A2SLC1A1
P-Nitrophenol SCHEMBL4805916 0.87 SLC1A3 (0.50) ALDH1A1SLC7A5SLC1A3SLC1A2SLC1A1
4-Nitroaniline SCHEMBL29058965 0.87 ALDH1A1 (0.58) ALDH1A1SLC7A5SLC1A3SLC1A2SLC1A1
Valine SCHEMBL10510346 0.85 SLC1A3 (0.49) SLC7A5SLC1A3SLC1A2SLC1A1CES1
Nitrobenzene SCHEMBL28246897 0.83 ALDH1A1 (0.55) ALDH1A1LMNASLC1A3SLC1A2SLC1A1
Nitrobenzene SCHEMBL28483988 0.82 ALDH1A1 (0.64) ALDH1A1LMNACES2CES1HPGD
Paranitrobenzyl Alcohol SCHEMBL5724094 0.82 SLC1A3 (0.46) LMNASLC7A5SLC1A3SLC1A2SLC1A1
Valine SCHEMBL15057374 0.80 SLC7A5 (0.48) ALDH1A1LMNASLC7A5SLC1A3SLC1A2
Valine SCHEMBL7169984 0.80 TSHR (0.53) ALDH1A1SLC7A5L3MBTL1NPC1RAB9A
Nitrobenzene SCHEMBL11333335 0.79 ALDH1A1 (0.73) ALDH1A1LMNACES2CES1HPGD

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
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 — — EP disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 — — US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 — — US disclosed
EP-2931280-A2 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 Phusis Therapeutics Inc. (US) 2015-10-21 — — EP disclosed
WO-2014093988-A2 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2014-06-19 — — WO disclosed
US-5013354-A Tetrahydrophthalimido group, herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-07 — — US disclosed
EP-0300398-A2 3-Phenylpropionic acid derivatives BASF Aktiengesellschaft (DE) 1989-01-25 — — 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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 ALDH1A1 4764/4885LMNA 1352/4885SLC7A5 4839/4885

“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.

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