SCHEMBL19600511

SCHEMBL19600511

Cc1cccc(CN2CCN(C)CCN(Cc3cccc(C(=O)O)n3)CCN(Cc3ccc(N=C=S)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.38
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
CSF1R P07333 1/20 0.36
CHRM1 P11229 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL29556200 0.95 MC4R (0.41) MC4RHDAC6PARP1PARP2PARP3
SCHEMBL17797163 0.95 MC4R (0.41) MC4RHDAC6PARP1PARP2PARP3
SCHEMBL19600503 0.86 HDAC6 (0.35) MC4RHDAC6PARP1PARP2PARP3
SCHEMBL1252458 0.79 MC4R (0.46) MC4RCHRM1CNR1
SCHEMBL30577958 0.79 MC4R (0.46) MC4RCHRM1CNR1
SCHEMBL17805278 0.79 MC4R (0.46) MC4RCHRM1CNR1
SCHEMBL18110284 0.79 CYP2D6 (0.43) TP53CYP1A2CYP3A4CYP2D6ALOX12
SCHEMBL18110236 0.79 CYP2D6 (0.43) TP53CYP1A2CYP3A4CYP2D6ALOX12
SCHEMBL19605720 0.76 MC4R (0.41) MC4RKMT2AHDAC6PARP1PARP2
SCHEMBL5002886 0.76 LMNA (0.56) MC4RHDAC6TP53NPC1RAB9A

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-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-11-16 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-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF AP2A2, ATP2A2, SLC20A2 MC4R 3195/4885KMT2A 885/4885HDAC6 2760/4885

“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.