SCHEMBL11943274

SCHEMBL11943274

CCOC(=O)C1CCCN(c2c(N3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)cnn(-c3ccccc3)c2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ SHMT2 P34897 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ POLB P06746 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
SCHEMBL13304705 0.93 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPSR1TAAR1
SCHEMBL11943273 0.90 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ANPSR1TAAR1
SCHEMBL11943167 0.90 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPSR1TAAR1
SCHEMBL11943267 0.89 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL11943164 0.88 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL11943169 0.87 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL11943269 0.87 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL11943278 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL11943263 0.84 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL11943148 0.83 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPSR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
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
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — 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 (2 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA ALDH1A1 2437/4885MEN1 1830/4885KMT2A 3312/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885MEN1 1878/4885KMT2A 2126/4885

“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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