SCHEMBL11943451

SCHEMBL11943451

O=c1c(OC2CCCCC2)c(N2CCN(Cc3ccoc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ DCTPP1 Q9H773 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ SMO Q99835 1/20 0.36
▸ SRPK1 Q96SB4 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
SCHEMBL11943340 0.90 ALDH1A1 (0.42) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL11943447 0.87 NPC1 (0.40) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL14081533 0.86 ALDH1A1 (0.46) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL14080963 0.85 NPC1 (0.43) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL11943345 0.85 NPC1 (0.43) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL11943328 0.84 MAPK14 (0.44) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL11943442 0.84 ALDH1A1 (0.42) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL11943427 0.83 ALDH1A1 (0.52) NPC1RAB9AKDM4EPOLBALDH1A1
SCHEMBL17057983 0.83 MAPT (0.46) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL11943407 0.83 ALDH1A1 (0.42) NPC1RAB9AKDM4EPOLBALDH1A1

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.

Send feedback