SCHEMBL6432446

SCHEMBL6432446

O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.68
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
HPGD P15428 3/20 0.61
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 1/20 0.61
DDIT3 P35638 1/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PAX8 Q06710 1/20 0.53
EPHX1 P07099 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL28235922 0.86 L3MBTL1 (0.59) MITFRAB9ANPC1L3MBTL1TDP1
SCHEMBL22804222 0.83 JAK2 (0.59) MITFRAB9ANPC1L3MBTL1TDP1
SCHEMBL13148023 0.80 KMT2A (0.53) MITFRAB9ANPC1L3MBTL1TDP1
SCHEMBL7485465 0.78 DDIT3 (0.53) MITFRAB9ANPC1L3MBTL1TDP1
SCHEMBL20266307 0.76 ALDH1A1 (1.00) RAB9ANPC1L3MBTL1HPGDALDH1A1
SCHEMBL7798331 0.76 HPGD (1.00) RAB9ANPC1L3MBTL1TDP1HPGD
SCHEMBL30362905 0.75 POLB (0.51) RAB9AL3MBTL1HPGDALDH1A1EPHX1
SCHEMBL7059501 0.74 ALDH1A1 (0.69) RAB9ANPC1ALDH1A1TSHRDDIT3
SCHEMBL6449773 0.74 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL16919790 0.74 DDIT3 (1.00) RAB9ANPC1DDIT3MEN1KMT2A

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
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
EP-2518063-B1 Pyridazinones and furan-containing compounds SLOAN-KETTERING INST FOR CANCER RES (US) 2017-02-01 EP disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 US disclosed
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 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 (4 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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 MITF 4039/4885RAB9A 2836/4885NPC1 1957/4885
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP MITF 471/4885RAB9A 3655/4885NPC1 2857/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP MITF 471/4885RAB9A 3655/4885NPC1 2857/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 MITF 3997/4885RAB9A 3116/4885NPC1 1752/4885

“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.