SCHEMBL14136353

SCHEMBL14136353

CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.70
LMNA P02545 3/20 0.70
POLB P06746 2/20 0.69
MAPT P10636 6/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
HPGD P15428 2/20 0.62
HTT P42858 1/20 0.62
ALDH1A1 P00352 5/20 0.60
NPSR1 Q6W5P4 2/20 0.60
TP53 P04637 1/20 0.60
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
GRM2 Q14416 1/20 0.56
HSD11B1 P28845 1/20 0.54

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
SCHEMBL9105524 0.86 POLB (0.75) SMN1; SMN2LMNAPOLBMAPTMEN1
SCHEMBL18965251 0.84 POLB (0.64) SMN1; SMN2LMNAPOLBMAPTMEN1
SCHEMBL24968952 0.83 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBMAPTMEN1
SCHEMBL1999759 0.83 POLB (0.71) SMN1; SMN2LMNAPOLBMAPTMEN1
SCHEMBL4907149 0.83 POLB (0.71) SMN1; SMN2LMNAPOLBMAPTMEN1
SCHEMBL12267527 0.82 POLB (0.66) SMN1; SMN2LMNAPOLBMAPTMEN1
SCHEMBL1432512 0.82 KMT2A (0.72) SMN1; SMN2LMNAPOLBMAPTMEN1
SCHEMBL3211123 0.82 POLB (0.68) SMN1; SMN2LMNAPOLBMAPTMEN1
SCHEMBL232841 0.82 POLB (0.69) SMN1; SMN2LMNAPOLBMAPTMEN1
SCHEMBL24970195 0.82 SMN1; SMN2 (0.53) SMN1; SMN2LMNAPOLBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 CN claimed
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 US disclosed
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 CN disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed
US-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-05-30 US disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 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 (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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES ACHE, AADAC, ATL3 SMN1; SMN2 2530/4885LMNA 2586/4885POLB 4561/4885
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B SMN1; SMN2 4873/4885LMNA 3692/4885POLB 987/4885

“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.