SCHEMBL1347586

SCHEMBL1347586

NC(=O)c1cccc(-c2ccc(CNCC34CC5CC(CC(C5)C3)C4)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
HDAC6 Q9UBN7 9/20 0.50
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44
P2RX7 Q99572 5/20 0.43
EPHX2 P34913 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HPGDS O60760 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL1347739 0.91 KDM1A (0.48) KDM1AHDAC6FLT3TYRO3MERTK
SCHEMBL13929437 0.88 KDM1A (0.44) KDM1AHDAC6HDAC3HDAC1HDAC2
SCHEMBL1347759 0.86 KDM1A (0.52) KDM1AHDAC6HDAC3HDAC1FLT3
SCHEMBL1347747 0.81 KDM1A (0.51) KDM1AHDAC1CYP11B1CYP11B2HPGDS
SCHEMBL13929436 0.80 KDM1A (0.42) KDM1AFLT3TYRO3MERTKGAS6
SCHEMBL12133483 0.80 KDM1A (0.50) KDM1ACYP11B1CYP11B2HPGDS
SCHEMBL1345827 0.80 CYP11B1 (0.55) KDM1AHDAC1FLT3CYP11B1CYP11B2
SCHEMBL1347585 0.78 KDM1A (0.50) KDM1AHDAC6HDAC3HDAC1HDAC2
SCHEMBL1347869 0.77 KDM1A (0.46) KDM1ACYP11B1CYP11B2HPGDS
SCHEMBL1345822 0.76 KDM1A (0.47) KDM1AHDAC6EPHX2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US claimed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 KDM1A 2408/4885HDAC6 752/4885HDAC3 283/4885

“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.