SCHEMBL29930243

SCHEMBL29930243

Cn1c(Br)cnc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 13/20 0.62
F13A1 P00488 11/20 0.62
TGM1 P22735 8/20 0.62
TGM3 Q08188 1/20 0.62
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDR P35968 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL22405315 1.00 TGM2 (0.62) TGM2F13A1TGM1TGM3MEN1
SCHEMBL22406004 0.88 F13A1 (0.46) TGM2F13A1TGM1TGM3MAPT
SCHEMBL22405362 0.86 MEN1 (0.48) TGM2F13A1TGM1TGM3MEN1
SCHEMBL29004186 0.84 MEN1 (0.46) TGM2F13A1TGM1TGM3MEN1
SCHEMBL26096244 0.84 MEN1 (0.46) TGM2F13A1TGM1TGM3MEN1
SCHEMBL24896968 0.82 MEN1 (0.44) TGM2F13A1TGM1TGM3MEN1
SCHEMBL22405887 0.82 TGM2 (0.53) TGM2F13A1TGM1TGM3MEN1
SCHEMBL29930054 0.82 TGM2 (0.53) TGM2F13A1TGM1TGM3MEN1
SCHEMBL24896757 0.80 NPC1 (0.44) MEN1KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL24896483 0.80 KDM4E (0.48) MEN1KMT2AMAPTLMNACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390604-B2 Imidazole-pyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US 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-11390604-B2 Imidazole-pyrazole derivatives F12, CYP3A7, NLRP3 TGM2 4481/4885F13A1 1398/4885TGM1 1779/4885

“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.