SCHEMBL2419986

SCHEMBL2419986

COc1ccccc1C(=Nc1cccc(C(F)(F)F)c1)NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.48
IDO1 P14902 2/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
RORB Q92753 4/20 0.44
RORC P51449 1/20 0.44
GAA P10253 1/20 0.44
CRHR1 P34998 1/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL12289344 1.00 RXFP1 (0.48) RXFP1IDO1HTR3EHTR3BHTR3A
SCHEMBL2419984 1.00 RXFP1 (0.48) RXFP1IDO1HTR3EHTR3BHTR3A
SCHEMBL1696031 0.75 RXFP1 (0.63) RXFP1MAPTLMNAGAAKDM4E
SCHEMBL1696028 0.75 RXFP1 (0.63) RXFP1MAPTLMNAGAAKDM4E
SCHEMBL29579640 0.72 IDO1 (0.58) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4436230 0.70 CTSD (0.47) RXFP1MAPTTSHRGAAALDH1A1
SCHEMBL11504586 0.69 RORB (0.60) RXFP1MAPTLMNATSHRRORB
SCHEMBL5491795 0.69 RXFP1 (0.88) RXFP1MAPT
SCHEMBL29870252 0.69 HTR3E (0.64) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4928790 0.68 IDO1 (0.55) RXFP1IDO1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237679-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-09-29 US disclosed
WO-2010077734-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 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 (1 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-20110237679-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SARS1, EIF2AK2, MAVS RXFP1 4844/4885IDO1 644/4885HTR3E 2782/4885

“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.