SCHEMBL17536268

SCHEMBL17536268

CCc1cccc(C)c1N(C(=O)CCl)C(N)=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ TP53 P04637 5/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ NR1I2 O75469 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ OPRM1 P35372 4/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GPX4 P36969 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PAX8 Q06710 1/20 0.33

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
SCHEMBL10890129 0.82 TP53 (0.58) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL27536448 0.82 TP53 (0.58) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL11138433 0.81 ALDH1A1 (0.41) ALDH1A1TP53TDP1CYP3A4MEN1
SCHEMBL10888309 0.78 ALDH1A1 (0.63) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL16998571 0.77 TP53 (0.53) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL16998573 0.77 TP53 (0.53) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL11487958 0.77 ALDH1A1 (0.62) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL10858355 0.77 TP53 (0.74) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL17002042 0.76 TP53 (0.55) ALDH1A1TP53TDP1CYP3A4NR1I2
SCHEMBL15505752 0.76 TP53 (0.55) ALDH1A1TP53TDP1CYP3A4NR1I2

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 238/4885TP53 4500/4885TDP1 649/4885

“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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