SCHEMBL11943434

SCHEMBL11943434

CC1C=CCC(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC3CCN(Cc4ccccc4)CC3)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ DCTPP1 Q9H773 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL11943365 0.88 SMN1; SMN2 (0.41) LMNAMAPTPOLBKMT2ASMN1; SMN2
SCHEMBL11943337 0.85 LMNA (0.38) LMNAMAPTPOLBKMT2ASMN1; SMN2
SCHEMBL11943339 0.82 ALDH1A1 (0.40) LMNAMAPTPOLBKMT2ASMN1; SMN2
SCHEMBL11943441 0.80 ALDH1A1 (0.44) LMNAMAPTHRH3KMT2AALDH1A1
SCHEMBL11943446 0.79 SIGMAR1 (0.46) LMNAPOLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL11943467 0.79 LMNA (0.42) LMNAMAPTHRH3POLBKMT2A
SCHEMBL11943363 0.79 DRD4 (0.48) LMNAMAPTHRH3POLBKMT2A
SCHEMBL11943322 0.77 SMN1; SMN2 (0.49) LMNAMAPTHRH3POLBKMT2A
SCHEMBL14081533 0.77 ALDH1A1 (0.46) LMNAMAPTHRH3POLBKMT2A
SCHEMBL11943457 0.77 CYP2D6 (0.53) HRH3KMT2ASMN1; SMN2ALDH1A1KDM4E

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 LMNA 929/4885MAPT 2295/4885HRH3 4071/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 LMNA 1760/4885MAPT 3651/4885HRH3 3366/4885

“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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