SCHEMBL17535316

SCHEMBL17535316

Cc1nn(-c2cccnc2)c(Cl)c1N(CC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
NPSR1 Q6W5P4 4/20 0.40
HPGD P15428 3/20 0.40
NR3C1 P04150 1/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 5/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
PAX8 Q06710 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.39
XBP1 P17861 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
EGFR P00533 2/20 0.38
SLC16A3 O15427 1/20 0.38

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
SCHEMBL17535314 0.87 CNR1 (0.39) SMN1; SMN2NR3C1MAPTPOLBALDH1A1
SCHEMBL2688872 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1HPGDNR3C1MAPT
SCHEMBL17535315 0.77 GPR119 (0.44) SMN1; SMN2HPGDNR3C1MAPTLMNA
SCHEMBL16651713 0.74 NPC1 (0.38) MAPTLMNAPOLBGAAALDH1A1
SCHEMBL14904621 0.73 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1HPGDNR3C1MAPT
SCHEMBL2733007 0.73 SMN1; SMN2 (0.39) SMN1; SMN2NR3C1MAPTLMNAPOLB
SCHEMBL14904629 0.72 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1HPGDNR3C1MAPT
SCHEMBL2690374 0.71 GRM1 (0.39) SMN1; SMN2NR3C1MAPTPOLBALDH1A1
SCHEMBL17535288 0.70 NPC1 (0.38) MAPTLMNAPOLBGAAALDH1A1
SCHEMBL15362544 0.70 ALDH1A1 (0.40) MAPTGAAALDH1A1HTTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-09 US disclosed
US-9282739-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-15 US disclosed
US-20160060245-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 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-20160159766-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885NPSR1 1622/4885HPGD 1493/4885
US-20160060245-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS SMN1; SMN2 4317/4885NPSR1 1622/4885HPGD 1493/4885

“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.