SCHEMBL17525296

SCHEMBL17525296

CCN(CC)c1ccc2cc(/C=C/C(=O)c3ccc(C(=O)OCOC(C)=O)cc3Br)c(=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.50
▸ MEN1 O00255 10/20 0.48
▸ KMT2A Q03164 10/20 0.48
▸ MAPT P10636 9/20 0.48
▸ ATM Q13315 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM4E B2RXH2 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ HPGD P15428 4/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ SLC16A3 O15427 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SLC16A1 P53985 1/20 0.46
▸ CYP19A1 P11511 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 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
SCHEMBL19203422 0.89 MEN1 (0.51) MAOBMEN1KMT2AMAPTATM
SCHEMBL19196346 0.88 MAOB (0.41) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL17525313 0.86 ALDH1A1 (0.55) MAOBMEN1KMT2AMAPTATM
SCHEMBL29816856 0.78 MAOB (0.80) MAOBMEN1KMT2AMAPTATM
SCHEMBL17525293 0.76 MAPT (0.61) MAOBMEN1KMT2AMAPTATM
SCHEMBL28386211 0.75 MEN1 (0.69) MAOBMEN1KMT2AMAPTATM
SCHEMBL17525289 0.75 MAOB (0.64) MAOBMEN1KMT2AMAPTATM
SCHEMBL19196315 0.75 MAOB (0.45) MAOBMEN1KMT2AMAPTATM
SCHEMBL17525290 0.74 MAPT (0.58) MAOBMEN1KMT2AMAPTATM
SCHEMBL13201646 0.74 MAOB (0.64) MAOBMEN1KMT2AMAPTATM

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-10921327-B2 Probes for quantitative imaging of thiols in various environments BAYLOR COLLEGE OF MEDICINE (US) 2021-02-16 — — US disclosed
US-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS BAYLOR COLLEGE OF MEDICINE (US) 2017-08-03 — — US disclosed
WO-2016025382-A2 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS BAYLOR COLLEGE OF MEDICINE (US) 2016-02-18 — — 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 (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-10921327-B2 Probes for quantitative imaging of thiols in various environments SQOR, TXN2, TXNRD1 MAOB 1766/4885MEN1 4675/4885KMT2A 3943/4885
US-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS SQOR, TXN2, TXNRD1 MAOB 1766/4885MEN1 4675/4885KMT2A 3943/4885

“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.

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