SCHEMBL3672342

SCHEMBL3672342

COC(=O)C(CNC=O)c1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 3/20 0.47
PKM P14618 1/20 0.47
NR4A2 P43354 1/20 0.45
CREBBP Q92793 1/20 0.45
GPR84 Q9NQS5 3/20 0.43
MIF P14174 1/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
FFAR1 O14842 2/20 0.42
ALOX5 P09917 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 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
SCHEMBL3665627 0.86 MAPT (0.60) KMT2AMEN1MAPTPKMGPR84
SCHEMBL17520555 0.82 HTR2A (0.56) KMT2AMEN1MAPTPKMNR4A2
SCHEMBL19168545 0.82 HTR2A (0.56) KMT2AMEN1MAPTPKMNR4A2
SCHEMBL19161105 0.82 HTR2A (0.56) KMT2AMEN1MAPTPKMNR4A2
Hydrochloric Acid SCHEMBL10853632 0.81 HTR2A (0.55) KMT2AMEN1MAPTPKMNR4A2
SCHEMBL28223946 0.81 GPR84 (0.58) KMT2AMEN1MAPTPKMNR4A2
SCHEMBL10366074 0.80 MAPT (0.52) KMT2AMEN1MAPTPKMNR4A2
SCHEMBL28224620 0.79 GPR84 (0.52) KMT2AMEN1MAPTPKMNR4A2
SCHEMBL28877726 0.78 NR4A2 (0.50) KMT2AMEN1MAPTNR4A2CREBBP
SCHEMBL17500230 0.78 MAPT (0.60) KMT2AMEN1MAPTPKMNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 KMT2A 2151/4885MEN1 686/4885MAPT 3979/4885

“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.