SCHEMBL11943458

SCHEMBL11943458

O=c1c(OCCC2CCCCC2)c(N2CCN(C/C=C/c3ccccc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ BCL2A1 Q16548 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 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
SCHEMBL11943330 0.86 LMNA (0.46) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL11943398 0.83 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL11943436 0.82 SIGMAR1 (0.43) SLC6A4SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL11943444 0.81 NPBWR1 (0.43) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL11943367 0.81 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL11943369 0.81 ALDH1A1 (0.41) NPC1RAB9ACHRM3LMNAKDM4E
SCHEMBL11943906 0.81 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL11943356 0.81 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL11943447 0.81 NPC1 (0.40) NPC1RAB9ASMN1; SMN2CHRM3LMNA
SCHEMBL11943358 0.81 NPSR1 (0.42) NPC1RAB9ASMN1; SMN2LMNAGAA

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 SLC6A4 4582/4885SLC6A3 4848/4885NPC1 2179/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 SLC6A4 3423/4885SLC6A3 4164/4885NPC1 2218/4885

“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