SCHEMBL12173012

SCHEMBL12173012

CCN(CC)c1ccc2c(-c3ccccc3C(=O)NCCC[Si](OC)(OC)OC)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.54
▸ FPR2 P25090 4/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ TLR7 Q9NYK1 1/20 0.46
▸ CHRM1 P11229 1/20 0.45
▸ AVPR2 P30518 3/20 0.43
▸ NPY4R P50391 3/20 0.43
▸ P2RY6 Q15077 1/20 0.42
▸ ITPR1 Q14643 1/20 0.41

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
SCHEMBL13033321 0.89 MEN1 (0.56) TGM2FPR2MEN1USP2POLB
SCHEMBL25698360 0.89 TGM2 (0.57) TGM2FPR2MEN1USP2POLB
SCHEMBL17348121 0.88 TGM2 (0.55) TGM2FPR2MEN1USP2POLB
SCHEMBL18760308 0.87 USP2 (0.54) TGM2FPR2MEN1USP2POLB
SCHEMBL12017845 0.85 MEN1 (0.53) TGM2FPR2MEN1USP2POLB
SCHEMBL18760518 0.85 FPR2 (0.56) TGM2FPR2MEN1USP2POLB
SCHEMBL9007850 0.85 USP2 (0.59) TGM2FPR2MEN1USP2POLB
SCHEMBL12118351 0.85 MEN1 (0.59) TGM2FPR2MEN1USP2POLB
SCHEMBL10000831 0.84 P2RY6 (0.56) TGM2FPR2MEN1USP2POLB
SCHEMBL17662505 0.84 TGM2 (0.53) TGM2FPR2MEN1USP2POLB

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
US-9403987-B2 Charged particles BASF SE (DE) 2016-08-02 — — US disclosed
US-20120229884-A1 CHARGED PARTICLES BASF SE (DE) 2012-09-13 — — 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-20120229884-A1 CHARGED PARTICLES POLE3, POLD3, IPO4 TGM2 4224/4885FPR2 4741/4885MEN1 2903/4885

“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.

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