SCHEMBL17359686

SCHEMBL17359686

Cc1cc(Cl)c(-n2ccccc2=O)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
METAP2 P50579 1/20 0.34

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
SCHEMBL16014667 0.82 SMN1; SMN2 (0.41) F10NPSR1POLBALDH1A1SMN1; SMN2
SCHEMBL8306979 0.79 METAP2 (0.48) F10NPSR1POLBKDM4EALDH1A1
SCHEMBL10690095 0.78 GABRA2 (0.41) F10ALDH1A1HPGDMAPTMEN1
SCHEMBL16022856 0.78 POLB (0.35) F10NPSR1POLBHRH4SLC6A2
SCHEMBL17358325 0.78 F10 (0.36) F10NPSR1POLBSLC6A2SLC6A4
SCHEMBL18653360 0.78 POLB (0.36) F10NPSR1POLBHPGDCYP1A2
SCHEMBL17059032 0.77 COMT (0.49) POLBKDM4EALDH1A1HPGDCYP1A2
SCHEMBL16023143 0.76 POLB (0.33) F10NPSR1POLBALDH1A1HPGD
SCHEMBL16014721 0.74 MIF (0.38) F10NPSR1POLBSLC6A2SLC6A4
SCHEMBL12892636 0.73 CYP3A4 (0.40) POLBKDM4EALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 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 (2 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-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS F10 1206/4885NPSR1 2638/4885POLB 808/4885
US-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS F10 1206/4885NPSR1 2638/4885POLB 808/4885

“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.