SCHEMBL18029397

SCHEMBL18029397

CCNC(=O)C1c2ccccc2CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
OPRM1 P35372 11/20 0.46
OPRK1 P41145 3/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
OPRD1 P41143 1/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
POLB P06746 1/20 0.43
ACP3 P15309 1/20 0.42

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
SCHEMBL18026725 0.83 POLB (0.48) HDAC4HDAC7HDAC5OPRM1OPRK1
SCHEMBL4541577 0.79 HDAC4 (0.79) HDAC4HDAC7HDAC5KMT2AHTT
SCHEMBL3816046 0.77 OPRM1 (0.41) OPRM1OPRK1HTTMTNR1AMTNR1B
Cyheptamide SCHEMBL29400142 0.74 ALDH1A1 (0.62) HDAC4HDAC7HDAC5HTTACP3
Cyheptamide SCHEMBL667894 0.74 ALDH1A1 (0.62) HDAC4HDAC7HDAC5HTTACP3
SCHEMBL7171729 0.74 ACP3 (0.50) HDAC4HDAC7HDAC5KMT2AHTT
SCHEMBL8672028 0.74 TP53 (0.48) OPRM1MTNR1AMTNR1B
SCHEMBL16559337 0.73 HDAC4 (0.44) HDAC4HDAC7HDAC5OPRM1OPRK1
SCHEMBL4163569 0.73 TSHR (0.44) OPRM1OPRK1MTNR1A
SCHEMBL3879203 0.72 TSHR (0.53) HDAC4HDAC7HDAC5OPRM1KMT2A

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-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 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-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO HDAC4 804/4885HDAC7 655/4885HDAC5 975/4885

“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.