SCHEMBL11943112

SCHEMBL11943112

[C-]#[N+]c1ccccc1Sc1ccccc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCc2cccnc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 3/20 0.43
▸ ALDH1A1 P00352 10/20 0.40
▸ MAPT P10636 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ VNN1 O95497 1/20 0.37

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
SCHEMBL11953028 0.87 ALDH1A1 (0.44) DCTPP1ALDH1A1MAPTLMNANPSR1
SCHEMBL13304332 0.87 DCTPP1 (0.42) DCTPP1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL11943240 0.83 DCTPP1 (0.45) DCTPP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13329325 0.81 ALDH1A1 (0.51) DCTPP1ALDH1A1MAPTLMNANPSR1
SCHEMBL11943222 0.80 DCTPP1 (0.51) DCTPP1ALDH1A1MAPTLMNANPSR1
SCHEMBL11946579 0.79 ALDH1A1 (0.36) DCTPP1ALDH1A1MAPTLMNANPSR1
SCHEMBL11943226 0.78 DCTPP1 (0.44) DCTPP1ALDH1A1MAPTLMNANPSR1
SCHEMBL11943117 0.74 ALDH1A1 (0.47) DCTPP1ALDH1A1MAPTLMNANPSR1
SCHEMBL13329623 0.74 ALDH1A1 (0.41) DCTPP1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11943132 0.74 MAPT (0.46) DCTPP1ALDH1A1MAPTLMNANPSR1

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 3 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-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

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 DCTPP1 625/4885ALDH1A1 2437/4885MAPT 2295/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 DCTPP1 209/4885ALDH1A1 2003/4885MAPT 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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