SCHEMBL9835734

SCHEMBL9835734

O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
POLB P06746 1/20 0.66
EPHX1 P07099 3/20 0.65
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
CYP1A2 P05177 1/20 0.62
HPGD P15428 1/20 0.62
CYP2C19 P33261 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
EPHX2 P34913 1/20 0.61
ALDH1A1 P00352 3/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL30583812 0.92 NPC1 (0.57) KMT2AMEN1POLBEPHX1NPC1
SCHEMBL28975685 0.92 NPC1 (0.57) KMT2AMEN1POLBEPHX1NPC1
SCHEMBL30583813 0.92 NPC1 (0.57) KMT2AMEN1POLBEPHX1NPC1
SCHEMBL30583808 0.89 MMP2 (0.56) KMT2AMEN1POLBEPHX1NPC1
SCHEMBL30583809 0.89 MMP2 (0.56) KMT2AMEN1POLBEPHX1NPC1
SCHEMBL14110292 0.86 KMT2A (0.63) KMT2AMEN1POLBEPHX1NPC1
SCHEMBL30583807 0.86 NPC1 (0.62) KMT2AMEN1POLBEPHX1NPC1
SCHEMBL6781380 0.86 KMT2A (0.57) KMT2AMEN1POLBEPHX1NPC1
SCHEMBL7034471 0.85 KHK (0.57) KMT2AMEN1POLBEPHX1NPC1
SCHEMBL520877 0.85 NPC1 (0.82) KMT2ANPC1RAB9ACYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423396-B sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2023-01-06 CN disclosed
CN-111423396-A sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2020-07-17 CN disclosed
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
EP-0211665-B1 BENZOYL-UREAS HAVING ACARICIDE AND INSECTICIDE ACTIVITY ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1991-06-12 EP disclosed
EP-0211665-A2 Benzoyl-ureas having acaricide and insecticide activity ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1987-02-25 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 (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-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM KMT2A 581/4885MEN1 4017/4885POLB 2148/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM KMT2A 581/4885MEN1 4017/4885POLB 2148/4885

“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.