SCHEMBL11943017

SCHEMBL11943017

O=c1c(SCc2ccccc2)c(N2CCN(Cc3cc(O)cc(O)c3)CC2)cnn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ MAPT P10636 5/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ LMNA P02545 4/20 0.48
▸ PPARG P37231 2/20 0.48
▸ NCOA2 Q15596 1/20 0.48
▸ NCOA1 Q15788 1/20 0.48
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ HTT P42858 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DRD4 P21917 1/20 0.40
▸ BCL2L1 Q07817 1/20 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
SCHEMBL11943021 0.91 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAPPARG
SCHEMBL11943013 0.86 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAPPARG
SCHEMBL11943062 0.84 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAPPARG
SCHEMBL11943026 0.83 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAPPARG
SCHEMBL11943068 0.83 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAPPARG
SCHEMBL11943067 0.82 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAPPARG
SCHEMBL11943024 0.82 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAPPARG
SCHEMBL11943422 0.82 MAPK14 (0.45) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL11943063 0.81 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2LMNAPPARG
SCHEMBL13219387 0.81 RAB9A (0.60) ALDH1A1MAPTSMN1; SMN2LMNAPPARG

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 2437/4885MAPT 2295/4885SMN1; SMN2 3911/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885MAPT 3651/4885SMN1; SMN2 3332/4885

“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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