SCHEMBL9753033

SCHEMBL9753033

CC(=O)CC(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
CPA1 P15085 3/20 0.45
NPC1 O15118 2/20 0.44
ADAM17 P78536 1/20 0.44
GSR P00390 1/20 0.42
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 2/20 0.41
NR1I2 O75469 1/20 0.41
NR3C1 P04150 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL27165021 1.00 KMT2A (0.49) KMT2ACPA1NPC1ADAM17GSR
SCHEMBL809523 1.00 KMT2A (0.49) KMT2ACPA1NPC1ADAM17GSR
SCHEMBL28344702 0.88 KMT2A (0.42) KMT2ACPA1NPC1ADAM17GABBR2
SCHEMBL29147714 0.86 GABBR2 (0.58) KMT2ACPA1NPC1ADAM17GABBR2
SCHEMBL22831452 0.86 GABBR2 (0.58) KMT2ACPA1NPC1ADAM17GABBR2
SCHEMBL15248889 0.85 ALDH1A1 (0.43) KMT2ACPA1ALDH1A1CYP2C9NR1I2
SCHEMBL27165022 0.85 ALDH1A1 (0.43) KMT2ACPA1ALDH1A1CYP2C9NR1I2
SCHEMBL27165025 0.84 CYP1A2 (0.41) KMT2AALDH1A1CYP2C9NR1I2NR3C1
SCHEMBL27204614 0.84 GABBR2 (0.44) KMT2AGABBR2GABBR1ALDH1A1CYP3A4
SCHEMBL27165145 0.84 CYP1A2 (0.41) KMT2AALDH1A1CYP2C9NR1I2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076263-A1 METHOD FOR PREPARING CHIRAL NITRO DERIVATIVES USING ORGANIC CHIRAL CATALYST COMPOUNDS AND ECO-FRIENDLY SOLVENTS KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION, (KR) 2024-03-07 US disclosed
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed
CN-1056690-A PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN 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-20240076263-A1 METHOD FOR PREPARING CHIRAL NITRO DERIVATIVES USING ORGANIC CHIRAL CATALYST COMPOUNDS AND ECO-FRIENDLY SOLVENTS PNMT, TNNC1, IDO1 KMT2A 2026/4885CPA1 3261/4885NPC1 2436/4885

“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.