Nornitrogen Mustard

Nornitrogen Mustard

SCHEMBL4942596

ClCCNCCCl.O=C(O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 11/20 0.50
▸ ABCC1 P33527 8/20 0.45
▸ KCNMA1 Q12791 1/20 0.45
▸ ACLY P53396 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL6225496 0.87 CRHBP (0.54) ABCB1ABCC1KCNMA1CRHBPCRHR2
SCHEMBL6224259 0.79 SMN1; SMN2 (0.47) ABCB1ACLYCRHBPCRHR2ALDH1A1
SCHEMBL6225781 0.77 ABCB1 (0.46) ABCB1ALDH1A1MAPTNPC1RAB9A
SCHEMBL6224090 0.77 HSPB1 (0.47) ABCB1ABCC1CRHBPCRHR2ALDH1A1
SCHEMBL6226629 0.76 MAPT (0.43) ABCB1MAPT
SCHEMBL4942593 0.75 PDCD1 (0.38) ABCB1CRHBPCRHR2ALDH1A1MAPT
SCHEMBL4942600 0.75 PDCD1 (0.38) ABCB1CRHBPCRHR2ALDH1A1MAPT
SCHEMBL6225897 0.75 ABCB1 (0.50) ABCB1ABCC1ALDH1A1MAPTNPC1
SCHEMBL27502700 0.74 ABCB1 (0.53) ABCB1ABCC1KCNMA1CRHBPCRHR2
SCHEMBL6225602 0.74 ABCB1 (0.50) ABCB1ABCC1ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222297-B2 e.g. 1-[3-(acridin-9-ylamino)-5-hydroxymethylphenyl]-3-{4-[bis(2-chloroethyl)amino]phenyl}urea; anticarcinogenic agent; improved chemical stability and efficacy; brain tumor, breast cancer, colon cancer, leukemia, and neuroblastoma ACADEMIA SINICA (TW) 2012-07-17 — — US disclosed
US-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2008-07-17 — — US 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-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents WEE1, PCNA, ATIC ABCB1 176/4885ABCC1 287/4885KCNMA1 3952/4885

“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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