SCHEMBL3585562

SCHEMBL3585562

O=C(NCCCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CDK1 P06493 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL3584738 0.96 MAPT (0.47) MAPTCDK1RAB9ANPC1SMN1; SMN2
SCHEMBL3571303 0.95 MAPT (0.46) MAPTCDK1RAB9ANPC1SMN1; SMN2
SCHEMBL3570941 0.95 MAPT (0.46) MAPTCDK1RAB9ANPC1SMN1; SMN2
SCHEMBL2966985 0.92 KMT2A (0.46) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9334987 0.88 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13338187 0.85 KMT2A (0.47) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL3986062 0.81 MEN1 (0.44) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2977898 0.81 MEN1 (0.44) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL3986075 0.80 MEN1 (0.43) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13338210 0.80 MEN1 (0.43) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2010-01-14 US disclosed
US-7629332-B2 Nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNISERVICES LIMITED (NZ) 2009-12-08 US disclosed
US-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents AUCKLAND UNIVERVICES LIMITED (NZ) 2007-02-08 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 (2 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-20070032455-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, PNP MAPT 4066/4885CDK1 4217/4885RAB9A 2886/4885
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, QDPR MAPT 3856/4885CDK1 4106/4885RAB9A 2681/4885

“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.