SCHEMBL9953609

SCHEMBL9953609

CC(=O)On1ccnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
OPRK1 P41145 1/20 0.37
CA12 O43570 5/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
MITF O75030 1/20 0.35
TYMP P19971 3/20 0.34
NOS1 P29475 1/20 0.34
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL27826286 0.79 LMNA (0.37) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL28036853 0.73 LMNA (0.38) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL10339231 0.73 LMNA (0.50) LMNATHRBCYP2C19KMT2ACYP3A4
SCHEMBL28045390 0.73 FDPS (0.34) CYP2C19KMT2ACYP3A4CYP2D6NOS1
SCHEMBL10714839 0.72
Bromide SCHEMBL28907518 0.72 FDPS (0.33) KMT2ACYP3A4NOS1ALDH1A1
SCHEMBL28183764 0.72 FDPS (0.33) KMT2ACYP3A4NOS1ALDH1A1
SCHEMBL28773409 0.70 KMT2A (0.42) LMNATHRBCYP2C19KMT2ACYP3A4
Water SCHEMBL28641387 0.70 FDPS (0.33) KMT2ANOS1ALDH1A1
SCHEMBL15325016 0.70 LMNA (0.61) LMNATHRBCYP2C19KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150849-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO- CLINIC" (NL) 2015-06-04 US disclosed
CN-103443083-A Cancer Targeting Using Carbonic Anhydrase Isoenzyme IX Inhibitors STICHTING MAASTRICHT RADIATION ONCOLOGY MAASTRO CLINIC 2013-12-11 CN disclosed
EP-2655336-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO CLINIC" (NL) 2013-10-30 EP disclosed
WO-2012087115-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO-CLINIC" (NL) 2012-06-28 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-20150150849-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS CA9, HIF1AN, CA4 LMNA 4611/4885THRB 3022/4885CYP2C19 304/4885

“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.