SCHEMBL23089302

SCHEMBL23089302

O=C(O)N1CCC=C(c2cccc([N+](=O)[O-])n2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
LMNA P02545 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32
ELANE P08246 1/20 0.32
PKM P14618 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL31715571 0.89 RAB9A (0.35) CPT2CPT1ALMNAIRAK4CYP1A2
SCHEMBL23090055 0.84 MAPT (0.43) LMNA
SCHEMBL29814785 0.84 MAPT (0.43) LMNA
SCHEMBL29736529 0.81 CHRM1 (0.46) IRAK4
SCHEMBL23089313 0.81 CHRM1 (0.46) IRAK4
SCHEMBL14761242 0.80 ALDH1A1 (0.38) CPT2CPT1ACYP1A2CYP3A4CYP2D6
SCHEMBL14761241 0.80 ALDH1A1 (0.38) CPT2CPT1ACYP1A2CYP3A4CYP2D6
SCHEMBL17962199 0.78 MEN1 (0.34) LMNAIRAK4PKM
SCHEMBL26099133 0.77 IRAK4 (0.34) IRAK4MYC
SCHEMBL23089359 0.69 HTR2A (0.37)

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-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists Nimbus Saturn, Inc. (US) 2021-06-08 US disclosed
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-01 US disclosed
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 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 (3 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-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists HIPK1, PDXK, IP6K1 CPT2 3975/4885CPT1A 933/4885LMNA 2721/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CPT2 3731/4885CPT1A 1315/4885LMNA 3355/4885
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 CPT2 3975/4885CPT1A 933/4885LMNA 2721/4885

“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.