SCHEMBL3028110

SCHEMBL3028110

NC(=O)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
GPR35 Q9HC97 2/20 0.56
GAA P10253 2/20 0.55
THRB P10828 1/20 0.55
ALDH1A1 P00352 6/20 0.54
CYP3A4 P08684 3/20 0.54
ALOX15 P16050 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49

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
SCHEMBL4639633 0.85 L3MBTL1 (0.63) KMT2AGPR35GAATHRBALDH1A1
SCHEMBL29771149 0.85 L3MBTL1 (0.63) KMT2AGPR35GAATHRBALDH1A1
SCHEMBL6398309 0.85 KMT2A (0.71) KMT2AGAAALDH1A1CYP3A4ALOX15
SCHEMBL28263745 0.84 GPR35 (0.55) KMT2AGPR35GAATHRBALDH1A1
Hydrochloric Acid SCHEMBL29079546 0.83 KMT2A (0.69) KMT2AGAAALDH1A1CYP3A4ALOX15
SCHEMBL578933 0.83 ALDH1A1 (0.66) KMT2AGPR35GAATHRBALDH1A1
Methane SCHEMBL28308571 0.83 KMT2A (0.69) KMT2AGAAALDH1A1CYP3A4ALOX15
Hexanoate SCHEMBL27991725 0.82 KMT2A (0.48) KMT2AGAAALDH1A1CYP3A4ALOX15
SCHEMBL28709886 0.81 ALDH1A1 (0.57) KMT2AGPR35ALDH1A1CYP3A4ALOX15
SCHEMBL1644789 0.81 GPR35 (0.56) KMT2AGPR35GAATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111138376-A 3, 5-disubstituted phenyl-1, 2, 4-oxadiazole derivative and preparation method and application thereof 中山大学 2020-05-12 CN disclosed
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
CN-101809005-B Fused bicyclic compound MITSUBISHI TANABE PHARMA CORP 2013-05-01 CN disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
CN-101809005-A Fused bicyclic compound MITSUBISHI TANABE PHARMA CORP 2010-08-18 CN disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R KMT2A 1022/4885GPR35 169/4885GAA 4864/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R KMT2A 1288/4885GPR35 176/4885GAA 4866/4885

“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.