SCHEMBL11943369

SCHEMBL11943369

Cc1cccc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCCC3CCCCC3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ TP53 P04637 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GPR6 P46095 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHRM1 P11229 1/20 0.38

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
SCHEMBL11943355 0.90 BCL2L1 (0.44) MAPTLMNANPC1RAB9AMEN1
SCHEMBL11943381 0.90 FAAH (0.43) ALDH1A1FAAHLMNAKDM4ECHRM2
SCHEMBL11946604 0.88 CHRM4 (0.39) ALDH1A1TP53MAPTLMNAKDM4E
SCHEMBL11943461 0.88 MAPT (0.38) ALDH1A1TP53MAPTLMNAKDM4E
SCHEMBL14080864 0.88 DRD2 (0.40) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL11943442 0.88 ALDH1A1 (0.42) ALDH1A1MAPTLMNAKDM4ECHRM2
SCHEMBL11943329 0.87 ALDH1A1 (0.46) ALDH1A1TP53MAPTLMNAKDM4E
SCHEMBL11943356 0.87 NPC1 (0.40) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL11943396 0.87 ALDH1A1 (0.45) ALDH1A1TP53MAPTLMNAKDM4E
SCHEMBL11943444 0.86 NPBWR1 (0.43) ALDH1A1MAPTLMNANPC1RAB9A

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 8 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
WO-2008115385-A2 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO 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 2437/4885TP53 3492/4885FAAH 4782/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885TP53 4322/4885FAAH 4851/4885

“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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