SCHEMBL29688985

SCHEMBL29688985

CC(C)(C)c1sc2ncnc(Cl)c2c1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
KDR P35968 3/20 0.39
KIT P10721 2/20 0.39
TEK Q02763 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
GRM1 Q13255 1/20 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
SCHEMBL26978426 1.00 MRGPRX1 (0.62) MRGPRX1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL26978352 0.89 SMN1; SMN2 (0.51) MRGPRX1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL26980589 0.86 MRGPRX1 (0.59) MRGPRX1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL29689010 0.86 MRGPRX1 (0.59) MRGPRX1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL30700902 0.85 MRGPRX1 (0.50) MRGPRX1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL26978261 0.85 MRGPRX1 (0.50) MRGPRX1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL29688906 0.84 MRGPRX1 (0.62) MRGPRX1SMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL26978108 0.84 MRGPRX1 (0.62) MRGPRX1SMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL24499970 0.83 MRGPRX1 (0.61) MRGPRX1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL29689334 0.83 MRGPRX1 (0.61) MRGPRX1SMN1; SMN2LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002395-A1 COMPOUNDS AND THEIR USE FOR TREATING NEUROPATHIC PAIN THE JOHNS HOPKINS UNIVERSITY 2024-01-04 US disclosed
EP-4255893-A1 COMPOUNDS AND THEIR USE FOR TREATING NEUROPATHIC PAIN The Johns Hopkins University (US) 2023-10-11 EP disclosed
WO-2022119823-A1 COMPOUNDS AND THEIR USE FOR TREATING NEUROPATHIC PAIN THE JOHNS HOPKINS UNIVERSITY (US) 2022-06-09 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-20240002395-A1 COMPOUNDS AND THEIR USE FOR TREATING NEUROPATHIC PAIN MRGPRX1, MRGPRX4, MRGPRX2 MRGPRX1 1/4885SMN1; SMN2 979/4885LMNA 4368/4885

“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.