SCHEMBL6156511

SCHEMBL6156511

NC(=O)c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 8/20 0.53
CYP3A4 P08684 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 1/20 0.46
CASP1 P29466 1/20 0.46
PKM P14618 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
SCHEMBL29288676 0.98 KMT2A (0.63) KMT2AALDH1A1CYP3A4TDP1ALOX15
SCHEMBL4638377 0.86 KMT2A (0.60) KMT2AALDH1A1CYP3A4TDP1ALOX15
SCHEMBL616678 0.84 ALDH1A1 (0.64) KMT2AALDH1A1CYP3A4TDP1ALOX15
SCHEMBL6398309 0.83 KMT2A (0.71) KMT2AALDH1A1CYP3A4TDP1ALOX15
SCHEMBL5875894 0.82 ALDH1A1 (0.52) KMT2AALDH1A1CYP3A4TDP1ALOX15
SCHEMBL74700 0.82 MAPK1 (0.52) KMT2AALDH1A1CYP3A4TDP1ALOX15
Hydrochloric Acid SCHEMBL5875896 0.82 ALDH1A1 (0.62) KMT2AALDH1A1CYP3A4TDP1ALOX15
Methane SCHEMBL28308571 0.81 KMT2A (0.69) KMT2AALDH1A1CYP3A4TDP1ALOX15
Hydrochloric Acid SCHEMBL29079546 0.81 KMT2A (0.69) KMT2AALDH1A1CYP3A4TDP1ALOX15
SCHEMBL2330920 0.81 ALDH1A1 (0.49) KMT2AALDH1A1CYP3A4TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110475785-A The selection method of peptide compounds and its manufacturing method, screening composition and peptide compounds FUJIFILM CORP 2019-11-19 CN disclosed
CN-109422725-A Drugs for prostate cancer 北京美倍他药物研究有限公司 2019-03-05 CN disclosed
CN-109293585-A A method of halobenzamides rapid synthesis quinazolinones are utilized under microwave condition in water phase 云南师范大学 2019-02-01 CN disclosed
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 KMT2A 1307/4885ALDH1A1 2454/4885CYP3A4 946/4885

“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.