SCHEMBL3584738

SCHEMBL3584738

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
CDK1 P06493 1/20 0.42
GPR35 Q9HC97 1/20 0.39
P2RX7 Q99572 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
SCHEMBL3570941 0.99 MAPT (0.46) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3571303 0.99 MAPT (0.46) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3585562 0.96 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2966985 0.91 KMT2A (0.46) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9334987 0.86 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL13338187 0.84 KMT2A (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3580003 0.80 KMT2A (0.42) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3986062 0.80 MEN1 (0.44) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2977898 0.80 MEN1 (0.44) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3578232 0.80 SMN1; SMN2 (0.47) MAPTRAB9ANPC1SMN1; SMN2MEN1

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 4066/4885RAB9A 2886/4885NPC1 1359/4885
US-20100010094-A1 Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents NAPRT, NTPCR, QDPR MAPT 3856/4885RAB9A 2681/4885NPC1 1461/4885

“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.