SCHEMBL13304384

SCHEMBL13304384

COc1cc(OC)c(NC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NC3CCC(Cc4ccccc4)CC3)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 3/20 0.46
▸ RBP4 P02753 3/20 0.45
▸ POLB P06746 3/20 0.44
▸ FAAH O00519 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ SHMT2 P34897 1/20 0.40
▸ HPGD P15428 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
SCHEMBL11943261 0.91 DCTPP1 (0.47) DCTPP1RBP4POLBALDH1A1SMN1; SMN2
SCHEMBL11943260 0.78 KMT2A (0.50) DCTPP1RBP4ALDH1A1SMN1; SMN2GAA
SCHEMBL11943270 0.75 MAPT (0.48) DCTPP1POLBFAAHSMN1; SMN2MAPK1
SCHEMBL11943171 0.74 DCTPP1 (0.46) DCTPP1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL11943154 0.74 GLA (0.49) DCTPP1FAAHALDH1A1SMN1; SMN2MAPK1
SCHEMBL11943170 0.73 RBP4 (0.64) DCTPP1RBP4ALDH1A1SMN1; SMN2MAPK1
SCHEMBL13329125 0.73 FAAH (0.48) DCTPP1POLBFAAHSMN1; SMN2MAPK1
SCHEMBL11943268 0.72 DCTPP1 (0.42) DCTPP1FAAHALDH1A1SMN1; SMN2RXFP1
SCHEMBL11943160 0.72 FAAH (0.56) DCTPP1FAAHALDH1A1SMN1; SMN2MAPK1
SCHEMBL11943275 0.71 FAAH (0.52) FAAHALDH1A1MAPTKMT2AMEN1

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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — 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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 DCTPP1 209/4885RBP4 4580/4885POLB 1016/4885

“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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