SCHEMBL3661300

SCHEMBL3661300

COC(=O)c1cc(C)cc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 2/20 0.46
HPGD P15428 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
NQO2 P16083 2/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL14653302 0.90 SMN1; SMN2 (0.49) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL20223143 0.82 SMN1; SMN2 (0.44) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL17344113 0.82 CA12 (0.48) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL24186174 0.82 ALOX15 (0.47) KDM4EALDH1A1MAPTMAPK1ATM
SCHEMBL24092263 0.82 KDM4E (0.53) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL17130071 0.81 MAPT (0.46) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL3403855 0.81 NQO2 (0.47) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL22557059 0.81 KDM4E (0.51) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL16232800 0.81 KDM4E (0.44) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL16232808 0.81 KMT2A (0.46) KDM4EALDH1A1MAPTPKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10276808-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-04-30 US disclosed
WO-2019068961-A1 NOVEL POLYMERS, METHODS FOR PREPARING SAME, AND USES THEREOF PARTICULARLY FOR METAL CAPTURE UNIVERSITE PARIS-SUD (FR) 2019-04-11 WO disclosed
WO-2017103545-A1 LANTHANIDE COMPLEXES FOR CRYSTALLISING BIOLOGICAL MACROMOLECULES AND DETERMINING THE CRYSTALLOGRAPHIC STRUCTURE THEREOF ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-06-22 WO disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
EP-2238135-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-10-13 EP disclosed
WO-2009090222-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-07-23 WO disclosed
WO-2009090222-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-07-23 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 (3 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-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS RIF1, MRPL21, NAT1 KDM4E 4652/4885ALDH1A1 1221/4885MAPT 3217/4885
US-10276808-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same OR10J3, EPCAM, TYR KDM4E 950/4885ALDH1A1 213/4885MAPT 1755/4885
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A KDM4E 322/4885ALDH1A1 866/4885MAPT 3672/4885

“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.