SCHEMBL1347739

SCHEMBL1347739

NC(=O)c1cccc(-c2ccc(CNCCC34CC5CC(CC(C5)C3)C4)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
EPHX2 P34913 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HDAC6 Q9UBN7 3/20 0.40
HPGDS O60760 1/20 0.40
P2RX7 Q99572 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 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
SCHEMBL1347586 0.91 KDM1A (0.51) KDM1AEPHX2CYP11B1CYP11B2HDAC6
SCHEMBL13929436 0.89 KDM1A (0.42) KDM1AEPHX2CYP11B1CYP11B2HPGDS
SCHEMBL1347759 0.84 KDM1A (0.52) KDM1ACYP11B1CYP11B2HDAC6HPGDS
SCHEMBL1347747 0.82 KDM1A (0.51) KDM1ACYP11B1CYP11B2HPGDSPDCD1
SCHEMBL13929437 0.80 KDM1A (0.44) KDM1AEPHX2CYP11B1CYP11B2HDAC6
SCHEMBL1347869 0.78 KDM1A (0.46) KDM1ACYP11B1CYP11B2HPGDSPDCD1
SCHEMBL1347915 0.78 HDAC1 (0.54) KDM1ACYP11B1CYP11B2PDCD1CD274
SCHEMBL1345822 0.78 KDM1A (0.47) KDM1AEPHX2CYP11B1CYP11B2HDAC6
SCHEMBL1347678 0.78 KDM1A (0.47) KDM1AEPHX2CYP11B1CYP11B2HDAC6
SCHEMBL13929390 0.78 KDM1A (0.47) KDM1AEPHX2CYP11B1CYP11B2HDAC6

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 2408/4885EPHX2 2276/4885CYP11B1 195/4885

“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.