SCHEMBL21909067

SCHEMBL21909067

Cc1c2c(c(C)c(-c3ccccc3)c1-c1ccccc1)C(=O)N(CCN=O)C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ LCK P06239 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SLC11A2 P49281 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL18919411 0.80 HEXA (0.44) CDK8ACVR1LMNAMAPTHTT
SCHEMBL21909057 0.75 HEXA (0.47) LMNAHTTTSHRLCKKMT2A
SCHEMBL18919421 0.75 GAA (0.41) LMNAGAATSHRCASP3KMT2A
SCHEMBL8266456 0.73 GLS (0.57) MAPTCASP3HSD17B10SMN1; SMN2RAB9A
SCHEMBL30753531 0.73 SMN1; SMN2 (0.47) GAATSHRALDH1A1CASP3HSD17B10
SCHEMBL18919446 0.73 SMN1; SMN2 (0.47) GAATSHRALDH1A1CASP3HSD17B10
Trifluoroacetic Acid SCHEMBL21828450 0.71 LCK (0.36) CDK8ACVR1CASP3LCK
SCHEMBL18919414 0.70 HSPA1A (0.47) LMNAMAPTHTTGAAALOX15
SCHEMBL30753533 0.70 HSPA1A (0.47) LMNAMAPTHTTGAAALOX15
SCHEMBL20574374 0.70 POLB (0.48) LMNAGAATSHRALDH1A1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200109115-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2020-04-09 — — 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 (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-20200109115-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS HMOX1, MB, NOS2 CDK8 3005/4885ACVR1 2877/4885LMNA 3968/4885

“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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