SCHEMBL21080211

SCHEMBL21080211

C[Si](C)(C)c1cc(C2CCC(NC(=O)O)CC2)no1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 15/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
STAT3 P40763 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL21080214 1.00 SMYD3 (0.40) SMYD3NPC1RAB9ASTAT3TSHR
SCHEMBL21162012 0.82 KDM1A (0.42)
SCHEMBL23536110 0.75 SCD5 (0.38) NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL19715241 0.70 NPC1 (0.76) SMYD3NPC1RAB9A
SCHEMBL17592584 0.70 NPC1 (0.76) SMYD3NPC1RAB9A
SCHEMBL3274985 0.69 MAPK14 (0.49) SMYD3NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL21490677 0.67 POLB (0.38) SMYD3NPC1RAB9ASMN1; SMN2
SCHEMBL21490729 0.67 POLB (0.38) SMYD3NPC1RAB9ASMN1; SMN2
SCHEMBL2586465 0.67 SMN1; SMN2 (0.46) NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL3590347 0.66 HCAR2 (0.50) SMYD3NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3583105-B1 PYRROLO [1,2-B]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2024-02-07 EP disclosed
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 SMYD3 4410/4885NPC1 3103/4885RAB9A 1639/4885

“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.