SCHEMBL11954265

SCHEMBL11954265

CC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCCN2CCOCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ ALDH1A1 P00352 8/20 0.47
▸ HPGD P15428 2/20 0.47
▸ DCTPP1 Q9H773 3/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HTR1A P08908 3/20 0.42
▸ ADRA1D P25100 3/20 0.42
▸ ADRA1A P35348 3/20 0.42
▸ ADRA1B P35368 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ MAPT P10636 2/20 0.41

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
SCHEMBL11946581 0.91 NPC1 (0.48) NPC1RAB9AALDH1A1HPGDDCTPP1
SCHEMBL11943141 0.88 NPC1 (0.47) NPC1RAB9AALDH1A1HPGDDCTPP1
SCHEMBL11943113 0.88 FYN (0.44) NPC1RAB9AALDH1A1HPGDDCTPP1
SCHEMBL11943168 0.86 ALDH1A1 (0.44) NPC1RAB9AALDH1A1HPGDDCTPP1
SCHEMBL11943208 0.79 PIK3CA (0.52) NPC1RAB9AALDH1A1HPGDDCTPP1
SCHEMBL11943161 0.78 TRPV1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL11943109 0.78 TMEM97 (0.44) NPC1RAB9AALDH1A1HPGDDCTPP1
SCHEMBL13942548 0.78 NPC1 (0.62) NPC1RAB9AALDH1A1HPGDDCTPP1
SCHEMBL11943243 0.78 ALDH1A1 (0.44) NPC1RAB9AALDH1A1DCTPP1SMN1; SMN2
SCHEMBL11943200 0.77 PIK3CA (0.47) NPC1RAB9AALDH1A1HPGDDCTPP1

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 2 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-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 (1 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 4688/4885ALDH1A1 2437/4885

“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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