SCHEMBL16737201

SCHEMBL16737201

O=C(O)c1cccc([N+](=O)[O-])c1Nc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MDM2 Q00987 1/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
CXCR2 P25025 1/20 0.48
DHODH Q02127 1/20 0.48
ALDH1A1 P00352 6/20 0.46
GAA P10253 4/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2293244 0.88 CXCR2 (0.59) TSHRMEN1KMT2ACXCR2ALDH1A1
SCHEMBL16737117 0.86 MAPT (0.51) TSHRMEN1KMT2ACXCR2DHODH
SCHEMBL12086509 0.86 TSHR (0.50) TSHRMEN1KMT2ACXCR2ALDH1A1
SCHEMBL2443092 0.86 TSHR (0.50) TSHRMEN1KMT2ACXCR2ALDH1A1
SCHEMBL30634719 0.83 TSHR (0.53) TSHRMEN1KMT2ACXCR2ALDH1A1
SCHEMBL19064638 0.83 TSHR (0.53) TSHRMEN1KMT2ACXCR2ALDH1A1
SCHEMBL16862346 0.83 KMT2A (0.56) TSHRMEN1KMT2ACXCR2ALDH1A1
SCHEMBL16862294 0.83 MAPT (0.56) TSHRMEN1KMT2AALDH1A1GAA
SCHEMBL16737172 0.80 POLB (0.67) TSHRMEN1KMT2ACXCR2ALDH1A1
SCHEMBL20475343 0.80 KDM4E (0.55) TSHRMEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 US disclosed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 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 (1 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-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT CACNB2, CACNB1, CACNB4 TSHR 2927/4885MDM2 4729/4885MEN1 2939/4885

“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.