SCHEMBL17205358

SCHEMBL17205358

Cn1c(=O)c2c(ncn2CC(=O)Nc2ccnc(Cl)n2)n(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.64
RXFP1 Q9HBX9 6/20 0.64
TP53 P04637 3/20 0.64
KMT2A Q03164 2/20 0.63
POLB P06746 1/20 0.63
TRPA1 O75762 1/20 0.62
CYP1A2 P05177 1/20 0.61
MEN1 O00255 1/20 0.61
PORCN Q9H237 2/20 0.60
ALOX15 P16050 1/20 0.58
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL10114511 0.83 CYP1A2 (0.72) THRBRXFP1TP53KMT2APOLB
SCHEMBL10114517 0.82 RXFP1 (0.66) THRBRXFP1TP53KMT2APOLB
SCHEMBL10114021 0.81 TRPA1 (0.80) THRBRXFP1TP53KMT2APOLB
SCHEMBL10113870 0.80 TRPA1 (0.76) THRBRXFP1TP53KMT2APOLB
SCHEMBL10114244 0.80 RXFP1 (0.80) THRBRXFP1TP53KMT2APOLB
SCHEMBL10114521 0.80 CYP1A2 (0.68) THRBRXFP1TP53KMT2APOLB
SCHEMBL20079679 0.80 LMNA (0.62) THRBRXFP1TP53KMT2APOLB
SCHEMBL10113906 0.80 RXFP1 (0.84) THRBRXFP1TP53KMT2APOLB
SCHEMBL19036471 0.78 CYP1A2 (0.66) THRBRXFP1TP53KMT2ATRPA1
SCHEMBL17204953 0.78 TRPA1 (0.54) RXFP1TP53KMT2ATRPA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
US-10428072-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-10-01 US disclosed
EP-3134410-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL Hydra Biosciences, Inc. (US) 2017-03-01 EP disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL MERCK & CO., INC. 2017-02-23 US disclosed
WO-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 WO disclosed
WO-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 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-10428072-B2 Inhibiting the transient receptor potential A1 ion channel TRPA1, TRPV1, TRPV2 THRB 1162/4885RXFP1 499/4885TP53 3553/4885
US-20170050966-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPA1, TRPV1, TRPV2 THRB 1162/4885RXFP1 499/4885TP53 3553/4885

“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.