SCHEMBL5041694

SCHEMBL5041694

Cn1ccc2c1ccn2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPO P22079 2/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PRKCI P41743 1/20 0.44
NQO2 P16083 1/20 0.42
CYP2A6 P11509 2/20 0.39
PIK3CB P42338 1/20 0.39
CRBN Q96SW2 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KDM6A O15550 1/20 0.35
KDM4A O75164 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM5C P41229 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
DOHH Q9BU89 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35

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
SCHEMBL18683804 0.74 PRKCI (0.60) KDM4EALDH1A1MAPTRXFP1PRKCI
SCHEMBL10531179 0.74 GPR3 (0.38) LPOKDM4EALDH1A1MAPTRXFP1
SCHEMBL5046506 0.73 KDM4E (0.47) KDM4EALDH1A1MAPTRXFP1PRKCI
SCHEMBL12278359 0.72 KDM4E (0.46) KDM4EALDH1A1MAPTRXFP1PRKCI
SCHEMBL5039906 0.71 KDM4E (0.50) KDM4EALDH1A1MAPTRXFP1PRKCI
SCHEMBL29812 0.70 CDK4 (0.56) KDM4EALDH1A1MAPTRXFP1PRKCI
SCHEMBL23331478 0.68
Bromide SCHEMBL31591097 0.68 CDK4 (0.54) KDM4EALDH1A1MAPTRXFP1PRKCI
Hydrochloric Acid SCHEMBL1356443 0.68 CDK4 (0.54) KDM4EALDH1A1MAPTRXFP1PRKCI
SCHEMBL24188608 0.68 KDM4E (0.43) KDM4EALDH1A1MAPTRXFP1PRKCI

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-20190006119-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND COMPOUND FUJIFILM CORPORATION (JP) 2019-01-03 US disclosed
US-9853226-B2 Fused polycyclic heteroaromatic compound, organic thin film including compound and electronic device including organic thin film SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-12-26 US disclosed
US-9812315-B2 Treating solution for electronic parts, and process for producing electronic parts FINE POLYMERS CORPORATION (JP) 2017-11-07 US disclosed
US-20170069854-A1 FUSED POLYCYCLIC HETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING COMPOUND AND ELECTRONIC DEVICE INCLUDING ORGANIC THIN FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-03-09 US disclosed
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS INC. (US) 2016-08-11 US disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 US disclosed
US-20150279654-A1 TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS FINE POLYMERS CORPORATION (JP) 2015-10-01 US disclosed
US-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-8362068-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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 (7 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-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 LPO 2484/4885KDM4E 3273/4885ALDH1A1 171/4885
US-20190006119-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND COMPOUND SLC9A2, SLC9A1, SUN2 LPO 2323/4885KDM4E 1565/4885ALDH1A1 2652/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 LPO 2484/4885KDM4E 3273/4885ALDH1A1 171/4885
US-20170069854-A1 FUSED POLYCYCLIC HETEROAROMATIC COMPOUND, ORGANIC THIN FILM INCLUDING COMPOUND AND ELECTRONIC DEVICE INCLUDING ORGANIC THIN FILM BMI1, OCIAD1, PIEZO1 LPO 3711/4885KDM4E 1100/4885ALDH1A1 1993/4885
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B LPO 128/4885KDM4E 1003/4885ALDH1A1 492/4885
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR HAVCR2, CYP3A5, CYP7A1 LPO 1616/4885KDM4E 4098/4885ALDH1A1 161/4885
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, LIPC, LDHB LPO 340/4885KDM4E 704/4885ALDH1A1 2231/4885

“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.