SCHEMBL11943345

SCHEMBL11943345

O=c1c(OC2CCCCC2)c(N2CCN(Cc3cc(O)cc(O)c3)CC2)cnn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ FAAH O00519 1/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ DCTPP1 Q9H773 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ AVPR1A P37288 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ SMO Q99835 1/20 0.36

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
SCHEMBL11943344 0.90 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL14080963 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL11943356 0.87 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL14081533 0.86 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL11943442 0.86 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL11943451 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL11943422 0.85 MAPK14 (0.45) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL11943822 0.84 LMNA (0.52) SMN1; SMN2LMNAPOLBMAPTDRD2
SCHEMBL14081494 0.84 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL11943414 0.84 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAPOLB

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 7 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

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 NPC1 2179/4885RAB9A 4688/4885SMN1; SMN2 3911/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 NPC1 2218/4885RAB9A 4434/4885SMN1; 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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