SCHEMBL11943373

SCHEMBL11943373

CN1CCC(Oc2c(N3CCN(Cc4cccs4)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ DRD4 P21917 9/20 0.48
▸ DRD3 P35462 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ DRD2 P14416 4/20 0.44
▸ USP2 O75604 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ DRD5 P21918 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39

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
SCHEMBL11943363 0.91 DRD4 (0.48) SMN1; SMN2POLBKMT2ALMNADRD4
SCHEMBL11943472 0.90 DRD4 (0.51) SMN1; SMN2POLBKMT2ALMNADRD4
SCHEMBL13304973 0.87 SMN1; SMN2 (0.47) SMN1; SMN2POLBKMT2ALMNADRD4
SCHEMBL11943334 0.83 DRD4 (0.52) SMN1; SMN2POLBKMT2ALMNADRD4
SCHEMBL11943463 0.81 DRD2 (0.40) SMN1; SMN2POLBKMT2ALMNADRD4
SCHEMBL11943446 0.78 SIGMAR1 (0.46) SMN1; SMN2POLBKMT2ALMNAALDH1A1
SCHEMBL11943450 0.77 DRD4 (0.47) SMN1; SMN2POLBKMT2ALMNADRD4
SCHEMBL11943467 0.77 LMNA (0.42) SMN1; SMN2POLBKMT2ALMNAALDH1A1
SCHEMBL11943018 0.77 DRD4 (0.51) SMN1; SMN2POLBKMT2ALMNADRD4
SCHEMBL11943441 0.77 ALDH1A1 (0.44) KMT2ALMNAALDH1A1MAPTKDM4E

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 SMN1; SMN2 3911/4885POLB 1088/4885KMT2A 3312/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 SMN1; SMN2 3332/4885POLB 1016/4885KMT2A 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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