SCHEMBL11943310

SCHEMBL11943310

COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NC2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ DNMT3A Q9Y6K1 4/20 0.44
▸ NSD2 O96028 2/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ DCTPP1 Q9H773 1/20 0.41
▸ EZH2 Q15910 1/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.41
▸ NSD3 Q9BZ95 1/20 0.41
▸ EHMT1 Q9H9B1 1/20 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
SCHEMBL11943181 0.83 NR2F2 (0.47) ALDH1A1KMT2AMAPTDCTPP1
SCHEMBL11943174 0.82 MAPT (0.49) ALDH1A1MAPK1MAPTDRD2DRD4
SCHEMBL13329196 0.81 ALDH1A1 (0.49) ALDH1A1PKMMAPTDCTPP1
SCHEMBL11943242 0.79 DCTPP1 (0.53) ALDH1A1KMT2AMAPTDNMT3ADCTPP1
SCHEMBL11943261 0.78 DCTPP1 (0.47) ALDH1A1MAPK1DNMT3ADRD2DRD4
SCHEMBL11943275 0.76 FAAH (0.52) ALDH1A1KMT2AMAPT
SCHEMBL13304402 0.74 SMN1; SMN2 (0.52) ALDH1A1PKMKMT2AMAPTDRD2
SCHEMBL11943194 0.73 TSHR (0.46) ALDH1A1PKMKMT2AMAPTGAA
SCHEMBL13304374 0.73 ALDH1A1 (0.45) ALDH1A1KMT2ADNMT3ADCTPP1
SCHEMBL11943270 0.73 MAPT (0.48) MAPK1KMT2AMAPTDCTPP1

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 2437/4885PKM 241/4885MAPK1 1289/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885PKM 190/4885MAPK1 775/4885

“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.

Send feedback