SCHEMBL3320095

SCHEMBL3320095

Cn1nncc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.41
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41
HDAC1 Q13547 1/20 0.41
RAC2 P15153 1/20 0.39
RAC3 P60763 1/20 0.39
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL24593737 0.81 ALDH1A1 (0.50) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL31706190 0.80 CYP2A6 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL23294479 0.79 ALDH1A1 (0.38) PTGS1PTGS2CYP1A2CYP3A4CYP2D6
SCHEMBL23328881 0.78 NOTUM (0.44) CYP1A2GAAALDH1A1NPSR1KMT2A
SCHEMBL2659203 0.77 GABRG2 (0.46) GAAALDH1A1IDO1KMT2A
SCHEMBL19169347 0.76 RXRA (0.41)
SCHEMBL21408706 0.75 FLT3 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19FLT3
SCHEMBL31398251 0.75 CA2 (0.39) PTGS1PTGS2TSHRFLT3ALDH1A1
SCHEMBL25701181 0.75 TP53 (0.44) PTGS2CYP1A2GAAALDH1A1
SCHEMBL1336097 0.74 CYP1A2 (0.45) PTGS1PTGS2CYP1A2CYP3A4CYP2D6

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP claimed
EP-3189050-B1 ANTIVIRAL AGENTS AND USES THEREOF UNIV GRIFFITH (AU) 2020-02-05 EP disclosed
US-10028938-B2 Antiviral agents and uses thereof GRIFFITH UNIVERSITY (AU) 2018-07-24 US disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
US-8653125-B2 Cyclohexane derivative having NPY Y5 receptor antagonism SHIONOGI CO., LTD. (JP) 2014-02-18 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
WO-2009089502-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-16 WO disclosed
WO-2008134679-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2008-11-06 WO disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
US-5207816-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-05-04 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 (5 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-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF RNASE1, ENTPD5, ACE PTGS1 3481/4885PTGS2 4080/4885CYP1A2 2350/4885
US-10028938-B2 Antiviral agents and uses thereof RNASE1, ENTPD5, ACE PTGS1 3481/4885PTGS2 4080/4885CYP1A2 2350/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 PTGS1 3270/4885PTGS2 4287/4885CYP1A2 4837/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 PTGS1 3270/4885PTGS2 4287/4885CYP1A2 4837/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 PTGS1 2879/4885PTGS2 3588/4885CYP1A2 4174/4885

“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.