SCHEMBL11946604

SCHEMBL11946604

Cc1cc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCCC3CCCCC3)CC2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ DCTPP1 Q9H773 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 4/20 0.36
▸ MIF P14174 1/20 0.36
▸ LMNA P02545 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TP53 P04637 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
SCHEMBL11943418 0.91 KDM4E (0.46) ALDH1A1KDM4EDCTPP1LMNAHTR1A
SCHEMBL11943444 0.89 NPBWR1 (0.43) ALDH1A1DCTPP1NPC1RAB9AMAPT
SCHEMBL14080864 0.89 DRD2 (0.40) ALDH1A1KDM4EDCTPP1MAPTLMNA
SCHEMBL11943369 0.88 ALDH1A1 (0.41) ALDH1A1KDM4ENPSR1NPC1RAB9A
SCHEMBL11943355 0.88 BCL2L1 (0.44) CHRM4NPC1RAB9AMAPTMIF
SCHEMBL11943356 0.88 NPC1 (0.40) CHRM4ALDH1A1DCTPP1NPC1RAB9A
SCHEMBL11943461 0.88 MAPT (0.38) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL11943445 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EDCTPP1MAPTLMNA
SCHEMBL11943381 0.84 FAAH (0.43) CHRM4ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL11943447 0.83 NPC1 (0.40) ALDH1A1KDM4EDCTPP1NPC1RAB9A

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 4 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-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 (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 CHRM4 4499/4885ALDH1A1 2437/4885KDM4E 1548/4885

“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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