SCHEMBL366956

SCHEMBL366956

NC(=O)c1ccc2c(c1)CCC(C(N)=O)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
DRD3 P35462 1/20 0.43
POLB P06746 1/20 0.43
HSD17B3 P37058 1/20 0.42
PARP1 P09874 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 1/20 0.39
HTR1B P28222 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38

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
SCHEMBL367380 0.94 KDM1A (0.46) KDM1ADRD3POLBHSD17B3PARP1
SCHEMBL7275357 0.89 ALDH1A1 (0.53) KDM1ADRD3POLBALDH1A1SMYD3
SCHEMBL8881136 0.84 KDM4E (0.45) ALDH1A1
SCHEMBL12152999 0.82 PARP1 (0.43) KDM1ADRD3HSD17B3PARP1PARP15
SCHEMBL2786999 0.81 SIRT1 (0.52) HSD17B3OPRK1
SCHEMBL10197703 0.79 PARP1 (0.46) KDM1APARP1PARP15PARP10
SCHEMBL4794024 0.78 DRD3 (0.42) DRD3OPRK1
SCHEMBL2785677 0.78 OPRK1 (0.37) OPRK1ALDH1A1
SCHEMBL346421 0.78 PLAU (0.52) ALDH1A1
SCHEMBL30711622 0.78 PLAU (0.52) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035640-B2 Oxygen-absorbing multilayer body, oxygen-absorbing container, oxygen-absorbing airtight container, oxygen-absorbing push-through pack, and storage method using same MITSUBISHI HAS CHEMICAL COMPANY, INC. (JP) 2018-07-31 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 KDM1A 82/4885DRD3 2383/4885POLB 306/4885

“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.