SCHEMBL12468824

SCHEMBL12468824

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.57
HPGD P15428 2/20 0.54
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
TRPA1 O75762 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
CTRB1 P17538 3/20 0.46
SLC1A2 P43004 1/20 0.46
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
HDAC3 O15379 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
IDO1 P14902 1/20 0.45

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
SCHEMBL4682930 0.87 LMNA (0.64) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL28033840 0.78 LMNA (0.63) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL9815318 0.76 LMNA (0.61) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL4679419 0.76 HPGD (0.69) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL11568901 0.75 LMNA (0.59) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL10589495 0.75 LMNA (0.59) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL4679156 0.74 LMNA (0.62) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL28641833 0.73 HDAC3 (0.58) LMNAHPGDALDH1A1SMN1; SMN2CTRB1
SCHEMBL28274372 0.73 LMNA (0.58) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL27243970 0.73 LMNA (0.68) LMNAHPGDALDH1A1SMN1; SMN2KDM4E

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 2770/4885HPGD 1562/4885ALDH1A1 934/4885
US-20170151248-A1 USE OF TRPA1 ANTAGONISTS TO PREVENT OR TREAT INFECTIONS CAUSED BY BIOLOGICAL-WARFARE AGENTS TRPA1, TRPV1, TRPV2 LMNA 2770/4885HPGD 1562/4885ALDH1A1 934/4885

“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.