SCHEMBL11943367

SCHEMBL11943367

CCC(C)CN1CCN(c2cnn(-c3ccccc3)c(=O)c2OCCC2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ DCTPP1 Q9H773 4/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL11943398 0.84 SMN1; SMN2 (0.42) NPC1RAB9AMAPTALDH1A1DCTPP1
SCHEMBL11943445 0.84 ALDH1A1 (0.49) MAPTALDH1A1DCTPP1RXFP1MCHR1
SCHEMBL14081532 0.83 LMNA (0.42) NPC1RAB9AMAPTALDH1A1DCTPP1
SCHEMBL11943366 0.83 SMO (0.47) NPC1RAB9AMAPTALDH1A1DCTPP1
SCHEMBL11943436 0.82 SIGMAR1 (0.43) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL11943405 0.82 DRD2 (0.40) NPC1RAB9AMAPTALDH1A1DCTPP1
SCHEMBL11943323 0.82 ALDH1A1 (0.42) NPC1RAB9AMAPTALDH1A1MCHR1
SCHEMBL11943327 0.81 SMO (0.46) NPC1RAB9AMAPTALDH1A1DCTPP1
SCHEMBL11943458 0.81 SLC6A4 (0.42) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL11943444 0.81 NPBWR1 (0.43) NPC1RAB9AMAPTALDH1A1DCTPP1

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 NPC1 2179/4885RAB9A 4688/4885MAPT 2295/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 NPC1 2218/4885RAB9A 4434/4885MAPT 3651/4885

“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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