SCHEMBL17536348

SCHEMBL17536348

CC(C)c1ccccc1N(C(=O)CCl)C(N)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ HTT P42858 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NOS3 P29474 2/20 0.32
▸ NOS1 P29475 2/20 0.32
▸ NOS2 P35228 2/20 0.32
▸ PAX8 Q06710 2/20 0.32

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
SCHEMBL17536329 0.82 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2TP53LMNANPC1
SCHEMBL16041491 0.72 GABRA1 (0.41) ALDH1A1LMNAHTTSIGMAR1GABRA1
SCHEMBL11869540 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TP53LMNANPC1
SCHEMBL11760747 0.70 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TP53LMNANPC1
SCHEMBL11869498 0.70 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TP53LMNANPC1
SCHEMBL17536328 0.70 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TP53LMNANPC1
SCHEMBL17536308 0.69 HCRTR1 (0.38) ALDH1A1SMN1; SMN2TP53LMNANPC1
SCHEMBL6616831 0.67 ALOX5 (0.40) LMNAKMT2ASIGMAR1GABRA1GABRB2
SCHEMBL20267556 0.67 SIGMAR1 (0.34) ALDH1A1LMNAKMT2ASIGMAR1GABRA1
SCHEMBL24502787 0.66 KMT2A (0.36) SMN1; SMN2LMNAKMT2ASIGMAR1GABRA1

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
EP-3185685-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2017-07-05 — — EP disclosed
US-9469617-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2016-10-18 — — US disclosed
US-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 — — US disclosed
WO-2016033025-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 — — 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-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 238/4885SMN1; SMN2 3702/4885TP53 4500/4885

“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.

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