SCHEMBL2923337

SCHEMBL2923337

CC1(Cc2ccccc2)CC(c2ccc(Cl)cc2)=NO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
PKM P14618 2/20 0.45
KDM4E B2RXH2 7/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 1/20 0.41
NLRP3 Q96P20 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41

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
SCHEMBL16079863 0.89 NLRP3 (0.51) RECQLMAPTNLRP3PTGDR2
SCHEMBL13840487 0.86 NLRP3 (0.41) RECQLMAPTNLRP3PTGDR2
SCHEMBL14880280 0.85 CA1 (0.52) RECQLKDM4ENPC1RAB9AMAPT
SCHEMBL2921233 0.84 POLB (0.44) KDM4EMAPT
SCHEMBL2920830 0.83 KDM4E (0.47) RECQLKDM4EMAPTNLRP3PTGDR2
SCHEMBL2912606 0.81 PYGL (0.46) KDM4EMAPTNLRP3PTGDR2
SCHEMBL14880281 0.81 CRBN (0.44) KDM4EPTGDR2
SCHEMBL2923835 0.81 RECQL (0.45) RECQLPKMKDM4ENPC1RAB9A
SCHEMBL3983896 0.80 RECQL (0.46) RECQLPKMKDM4ENPC1RAB9A
SCHEMBL16079862 0.80 ORAI1 (0.42) PKMNPC1RAB9AMAPTNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278942-B2 Non-steroidal compounds as androgen receptor modulators FLX DISCOVERIES OY (FI) 2016-03-08 US disclosed
US-9278942-B2 Non-steroidal compounds as androgen receptor modulators FLX DISCOVERIES OY (FI) 2016-03-08 US disclosed
US-9278942-B2 Non-steroidal compounds as androgen receptor modulators FLX DISCOVERIES OY (FI) 2016-03-08 US disclosed
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX DISCOVERIES OY (FI) 2014-09-18 US disclosed
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX DISCOVERIES OY (FI) 2014-09-18 US disclosed
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX DISCOVERIES OY (FI) 2014-09-18 US disclosed
EP-2768814-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS FLX Discoveries OY (FI) 2014-08-27 EP disclosed
WO-2013057372-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS PULKKINEN JUHA (FI) 2013-04-25 WO disclosed
WO-2013057372-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS PULKKINEN JUHA (FI) 2013-04-25 WO disclosed
US-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-10-21 US disclosed
US-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-10-21 US disclosed
US-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-10-21 US disclosed
EP-2222653-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY Pulkkinen, Juha (FI) 2010-09-01 EP disclosed
WO-2009066009-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 WO disclosed
WO-2009066009-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 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 (2 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-20100267784-A1 NOVEL 4,5-DIHYDROISOXAZOLES WITH ESTROGENIC ACTIVITY ESR2, GPER1, CYP19A1 RECQL 3988/4885PKM 2832/4885KDM4E 774/4885
US-20140275186-A1 NOVEL NON-STEROIDAL COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, NR5A1, SHBG RECQL 4403/4885PKM 2792/4885KDM4E 1544/4885

“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.