SCHEMBL7969110

SCHEMBL7969110

Nc1ccc(-c2ccccc2Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.66
CYP3A4 P08684 4/20 0.52
TSHR P16473 3/20 0.52
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.47
PTPRC P08575 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL9006034 0.89 PLA2G7 (0.69) PLA2G7CYP3A4TSHRNFKB1PMP22
SCHEMBL30839727 0.88 CYP3A4 (0.65) PLA2G7CYP3A4TSHRNFKB1PMP22
SCHEMBL302092 0.88 CYP3A4 (0.65) PLA2G7CYP3A4TSHRNFKB1PMP22
SCHEMBL6011528 0.87 PLA2G7 (0.61) PLA2G7CYP3A4TSHRNFKB1PMP22
Hydrochloric Acid SCHEMBL5800872 0.85 CYP3A4 (0.62) PLA2G7CYP3A4TSHRNFKB1PMP22
Hydrochloric Acid SCHEMBL7531143 0.85 CYP3A4 (0.62) PLA2G7CYP3A4TSHRNFKB1PMP22
SCHEMBL5684596 0.85 PLA2G7 (0.59) PLA2G7CYP3A4TSHRNFKB1PMP22
SCHEMBL27186003 0.84 CYP3A4 (0.61) PLA2G7CYP3A4TSHRNFKB1PMP22
SCHEMBL31661394 0.84 CYP3A4 (0.61) PLA2G7CYP3A4TSHRNFKB1PMP22
Hydrochloric Acid SCHEMBL5685502 0.84 PLA2G7 (0.58) PLA2G7CYP3A4TSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
US-6248197-B1 Method for producing a shaped multifilament, non-thermoplastic, elastomeric yarn E. I. DU PONT DE NEMOURS AND COMPANY 2001-06-19 US disclosed
US-5145790-A Immunoassay, fluorescein derivative ABBOTT LABORATORIES (US) 1992-09-08 US disclosed
EP-0455058-A2 Reagents and method for detecting polychlorinated biphenyls ABBOTT LABORATORIES (US) 1991-11-06 EP 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-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PLA2G7 527/4885CYP3A4 241/4885TSHR 4602/4885

“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.