SCHEMBL12468822

SCHEMBL12468822

O=C(NC(Cl)(Cl)C(S)Cl)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX15 P16050 1/20 0.44
HDAC1 Q13547 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL10616144 0.77 HDAC3 (0.54) LMNAALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL9491963 0.75 HDAC3 (0.52) LMNAALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL11570784 0.73 POLB (0.50) LMNAALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL12468824 0.73 LMNA (0.57) LMNAALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL28646933 0.72 ALOX15 (0.58) ALDH1A1SMN1; SMN2HPGDPOLBMEN1
SCHEMBL7525213 0.70 POLB (0.51) LMNAALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL9561167 0.70 POLB (0.47) LMNAALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL4682930 0.70 LMNA (0.64) LMNAALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL8131026 0.70 LMNA (0.43) LMNAALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL13416406 0.70 ALOX15 (0.56) ALDH1A1SMN1; SMN2HPGDPOLBMEN1

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-2023133502-A1 TREATMENT AND PREVENTION OF TRIGEMINAL NEURALGIA THE JOHNS HOPKINS UNIVERSITY (US) 2023-07-13 WO disclosed
EP-3917510-A1 TRANSIENT RECEPTOR POTENTIAL MELASTATIN 8 (TRPM8) ANTAGONISTS AND RELATED METHODS Marshall University Research Corporation (US) 2021-12-08 EP disclosed
WO-2020160464-A1 TRANSIENT RECEPTOR POTENTIAL MELASTATIN 8 (TRPM8) ANTAGONISTS AND RELATED METHODS MARSHALL UNIVERSITY RESEARCH CORPORATION (US) 2020-08-06 WO disclosed
US-20170151248-A1 USE OF TRPA1 ANTAGONISTS TO PREVENT OR TREAT INFECTIONS CAUSED BY BIOLOGICAL-WARFARE AGENTS ELI LILLY AND COMPANY 2017-06-01 US disclosed
US-9260430-B2 Use of TRPA1 antagonists to prevent or treat infections caused by biological-warfare agents HYDRA BIOSCIENCES, INC. (US) 2016-02-16 US disclosed
US-20130310345-A1 Use of TRPA1 Antagonists to Prevent or Treat Infections Caused by Biological-Warfare Agents ELI LILLY AND COMPANY 2013-11-21 US disclosed
WO-2012050641-A2 USE OF TRPA1 ANTAGONISTS TO PREVENT OR TREAT INFECTIONS CAUSED BY BIOLOGICAL-WARFARE AGENTS HYDRA BIOSCIENCES, INC (US) 2012-04-19 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 (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-20130310345-A1 Use of TRPA1 Antagonists to Prevent or Treat Infections Caused by Biological-Warfare Agents TRPA1, TRPV1, TRPV2 LMNA 2770/4885ALDH1A1 934/4885SMN1; SMN2 2024/4885
US-20170151248-A1 USE OF TRPA1 ANTAGONISTS TO PREVENT OR TREAT INFECTIONS CAUSED BY BIOLOGICAL-WARFARE AGENTS TRPA1, TRPV1, TRPV2 LMNA 2770/4885ALDH1A1 934/4885SMN1; SMN2 2024/4885

“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.