SCHEMBL11943243

SCHEMBL11943243

CC1=NN(c2ccc(C(=O)N3CCN(c4cnn(-c5ccccc5)c(=O)c4NCCCN4CCOCC4)CC3)cc2)C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ DCTPP1 Q9H773 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ MAPK13 O15264 1/20 0.38
▸ MAPK8 P45983 1/20 0.38

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
SCHEMBL13304376 0.87 ALDH1A1 (0.44) ALDH1A1DCTPP1RXFP1SMN1; SMN2HSD17B10
SCHEMBL11954265 0.78 NPC1 (0.49) ALDH1A1DCTPP1RXFP1SMN1; SMN2HSD17B10
SCHEMBL11946581 0.76 NPC1 (0.48) ALDH1A1DCTPP1RXFP1SMN1; SMN2HSD17B10
SCHEMBL11943109 0.75 TMEM97 (0.44) ALDH1A1DCTPP1SMN1; SMN2HSD17B10NPC1
SCHEMBL11943161 0.75 TRPV1 (0.47) ALDH1A1SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL11943113 0.75 FYN (0.44) ALDH1A1DCTPP1RXFP1SMN1; SMN2NPC1
SCHEMBL11943141 0.74 NPC1 (0.47) ALDH1A1DCTPP1RXFP1SMN1; SMN2HSD17B10
SCHEMBL11943168 0.72 ALDH1A1 (0.44) ALDH1A1DCTPP1RXFP1SMN1; SMN2HSD17B10
SCHEMBL11943124 0.70 ALDH1A1 (0.40) ALDH1A1DCTPP1RXFP1SMN1; SMN2HSD17B10
SCHEMBL11943301 0.70 CA12 (0.52) ALDH1A1DCTPP1SMN1; SMN2HSD17B10NPC1

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 ALDH1A1 2437/4885DCTPP1 625/4885RXFP1 3786/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885DCTPP1 209/4885RXFP1 4060/4885

“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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