SCHEMBL13304374

SCHEMBL13304374

COc1ccc(C(C)(C)C)c(C(=O)C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NC3CCN(Cc4ccccc4)CC3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ DNMT3A Q9Y6K1 2/20 0.44
▸ SIGMAR1 Q99720 6/20 0.43
▸ DCTPP1 Q9H773 3/20 0.43
▸ TP53 P04637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAOB P27338 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 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
SCHEMBL11943242 0.81 DCTPP1 (0.53) ALDH1A1SMN1; SMN2DNMT3ASIGMAR1DCTPP1
SCHEMBL11943238 0.81 TP53 (0.42) ALDH1A1SMN1; SMN2DCTPP1TP53RXFP1
SCHEMBL11943261 0.78 DCTPP1 (0.47) ALDH1A1SMN1; SMN2DNMT3ASIGMAR1DCTPP1
SCHEMBL11943160 0.76 FAAH (0.56) ALDH1A1SMN1; SMN2DCTPP1KMT2ARXFP1
SCHEMBL13329125 0.74 FAAH (0.48) SMN1; SMN2DCTPP1TP53KDM4E
SCHEMBL11943270 0.73 MAPT (0.48) SMN1; SMN2DCTPP1TP53KDM4EKMT2A
SCHEMBL11943310 0.73 ALDH1A1 (0.48) ALDH1A1DNMT3ADCTPP1KMT2A
SCHEMBL11943268 0.73 DCTPP1 (0.42) ALDH1A1SMN1; SMN2DCTPP1RXFP1
SCHEMBL11943275 0.73 FAAH (0.52) ALDH1A1SIGMAR1KDM4EKMT2A
SCHEMBL11943154 0.73 GLA (0.49) ALDH1A1SMN1; SMN2DCTPP1KDM4ERXFP1

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 ALDH1A1 2003/4885SMN1; SMN2 3332/4885DNMT3A 3573/4885

“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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