SCHEMBL11943447

SCHEMBL11943447

O=c1c(OCCC2CCCCC2)c(N2CCN(Cc3ccoc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ SRPK1 Q96SB4 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DCTPP1 Q9H773 3/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL11943444 0.87 NPBWR1 (0.43) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL11943451 0.87 NPC1 (0.43) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL11943356 0.87 NPC1 (0.40) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL11943407 0.86 ALDH1A1 (0.42) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL11943320 0.86 ALDH1A1 (0.42) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL11943355 0.85 BCL2L1 (0.44) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL11943445 0.85 ALDH1A1 (0.49) KDM4EALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL11943369 0.85 ALDH1A1 (0.41) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL11943381 0.85 FAAH (0.43) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL11943405 0.85 DRD2 (0.40) NPC1RAB9AALDH1A1POLBSMN1; SMN2

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 4688/4885KDM4E 1548/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 NPC1 2218/4885RAB9A 4434/4885KDM4E 1706/4885

“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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