SCHEMBL7380312

SCHEMBL7380312

O=C(O)c1ccc([N+](=O)[O-])cc1Nc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.62
CTSV O60911 4/20 0.60
CTSL P07711 4/20 0.60
AKR1C3 P42330 3/20 0.59
AKR1C2 P52895 3/20 0.59
ANO1 Q5XXA6 1/20 0.54
ANO2 Q9NQ90 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.52
GFER P55789 2/20 0.52
POLB P06746 1/20 0.51
NGLY1 Q96IV0 1/20 0.50
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
GRIK1 P39086 1/20 0.48

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
SCHEMBL11649632 0.90 CTSV (0.76) CTSVCTSLAKR1C3AKR1C2ANO1
SCHEMBL10385944 0.87 CTSV (0.74) MPOCTSVCTSLAKR1C3AKR1C2
SCHEMBL9551960 0.86 CTSV (0.78) MPOCTSVCTSLAKR1C3AKR1C2
SCHEMBL4164387 0.86 CTSV (0.78) MPOCTSVCTSLAKR1C3AKR1C2
SCHEMBL11332989 0.81 AKR1C3 (0.64) MPOCTSVCTSLAKR1C3AKR1C2
SCHEMBL22720115 0.81 MYC (0.65) MPOCTSVCTSLAKR1C3AKR1C2
SCHEMBL4213912 0.80 AKR1C3 (0.63) MPOCTSVCTSLAKR1C3AKR1C2
SCHEMBL7787033 0.80 KMT2A (0.72) AKR1C3AKR1C2MEN1KMT2ARAB9A
SCHEMBL16737118 0.80 MEN1 (0.57) MPOCTSVCTSLAKR1C3AKR1C2
SCHEMBL16737120 0.79 ANO1 (0.84) MPOCTSVCTSLAKR1C3AKR1C2

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 6 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 claimed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 US claimed
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
EP-0944584-A1 BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
WO-1998023581-A1 BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-06-04 WO 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 MPO 4272/4885CTSV 2337/4885CTSL 2314/4885

“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.