SCHEMBL6517075

SCHEMBL6517075

CCc1ccc2[nH]c(C(=O)OC)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
XDH P47989 2/20 0.59
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 4/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.53
HRH3 Q9Y5N1 1/20 0.52
MMP13 P45452 5/20 0.52
MMP2 P08253 4/20 0.51
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
MMP14 P50281 2/20 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
SCHEMBL28486126 0.90 KDM4E (0.55) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL7856278 0.88 XDH (0.56) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL6515598 0.88 XDH (0.56) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL12028491 0.88 DAO (0.55) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL829242 0.86 KDM4E (0.76) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6521759 0.85 XDH (0.54) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL6521757 0.84 XDH (0.53) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL1144864 0.84 PIN1 (0.63) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4598304 0.84 XDH (0.53) KDM4EXDHRAB9AALDH1A1HPGD
SCHEMBL6282515 0.84 XDH (0.53) KDM4EXDHRAB9AALDH1A1HPGD

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-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMAN-LA ROCHE INC. (US) 2019-01-29 US disclosed
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
EP-2997028-A1 AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F.HOFFMANN-LA ROCHE AG (CH) 2016-03-23 EP disclosed
US-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-03-10 US disclosed
CN-104628621-A Method for preparing fluoro-substituted indol derivative Hunan huateng pharmaceutical co ltd 2015-05-20 CN disclosed
WO-2014184163-A1 AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-11-20 WO disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 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 (4 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-20160068531-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 KDM4E 479/4885XDH 172/4885RAB9A 1756/4885
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK KDM4E 1508/4885XDH 2660/4885RAB9A 4115/4885
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, AZI2 KDM4E 479/4885XDH 172/4885RAB9A 1756/4885
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection IDO1, ZC3HAV1, AZI2 KDM4E 523/4885XDH 161/4885RAB9A 1910/4885

“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.