SCHEMBL9974823

SCHEMBL9974823

CCOC(=O)c1c(C)n(CCC(C)C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 4/20 0.53
KDM4E B2RXH2 4/20 0.52
GAA P10253 4/20 0.51
TSHR P16473 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 4/20 0.50
HTR3A P46098 2/20 0.50
PKM P14618 1/20 0.50
CNR2 P34972 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR1I2 O75469 1/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
CNR1 P21554 1/20 0.48

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
SCHEMBL9974832 0.86 KDM4E (0.49) MAPTSMN1; SMN2LMNAKDM4EGAA
SCHEMBL9974831 0.85 KDM4E (0.51) MAPTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL9974834 0.84 KDM4E (0.47) MAPTSMN1; SMN2LMNAKDM4EGAA
SCHEMBL2880955 0.79 KDM4E (0.66) MAPTSMN1; SMN2LMNAKDM4EGAA
SCHEMBL30228513 0.79 KDM4E (0.66) MAPTSMN1; SMN2LMNAKDM4EGAA
SCHEMBL3388130 0.79 MAPT (0.76) MAPTSMN1; SMN2LMNAKDM4EGAA
Hydrochloric Acid SCHEMBL30228556 0.78 KDM4E (0.64) MAPTSMN1; SMN2LMNAKDM4EGAA
SCHEMBL28370067 0.76 THRA (0.57) MAPTALDH1A1
SCHEMBL15375797 0.76 CNR1 (0.61) CNR2CNR1
SCHEMBL11154177 0.75 CNR2 (0.53) MAPTLMNATSHRALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed
US-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-9321768-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
US-9321768-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
EP-2651922-B1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-02-24 EP disclosed
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-8921560-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2014-12-30 US disclosed
US-8921560-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2014-12-30 US disclosed
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
WO-2012080447-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 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-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT MAPT 3712/4885SMN1; SMN2 696/4885LMNA 1996/4885
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT MAPT 3712/4885SMN1; SMN2 696/4885LMNA 1996/4885
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT MAPT 3712/4885SMN1; SMN2 696/4885LMNA 1996/4885

“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.