SCHEMBL2835480

SCHEMBL2835480

NC(=O)C1CC1c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.68
FAAH O00519 3/20 0.54
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.44
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
FFAR1 O14842 2/20 0.41

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
SCHEMBL12894948 1.00 SLC9A1 (0.68) SLC9A1FAAHHTR2AHTR2CHTR2B
SCHEMBL4210867 0.82 SLC9A1 (0.60) SLC9A1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL805079 0.82 SLC9A1 (0.60) SLC9A1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL3751420 0.82 SLC9A1 (0.60) SLC9A1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL7651885 0.82 SLC9A1 (0.60) SLC9A1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL301295 0.82 SLC9A1 (0.60) SLC9A1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL6832060 0.82 SLC9A1 (0.60) SLC9A1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL13544388 0.82 SLC9A1 (0.60) SLC9A1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL18611059 0.81 ALDH1A1 (0.67) SLC9A1FAAHHTR2AHTR2CHTR2B
SCHEMBL4069634 0.81 SLC9A1 (0.68) SLC9A1HTR2AHTR2CHTR2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078337-A1 CDK8/19 DUAL INHIBITORS AND METHODS OF USE INSILICO MEDICINE IP LIMITED (CN) 2023-05-11 WO disclosed
WO-2023078337-A1 CDK8/19 DUAL INHIBITORS AND METHODS OF USE INSILICO MEDICINE IP LIMITED (CN) 2023-05-11 WO disclosed
US-8618023-B2 Microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2013-12-31 US disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2018367-B1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-18 EP disclosed
EP-2018367-A1 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-01-28 EP disclosed
WO-2007134799-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-11-29 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-20100022570-A1 NOVEL MICROBIOCIDES QSOX1, MSR1, NOX1 SLC9A1 452/4885FAAH 425/4885HTR2A 2789/4885

“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.