SCHEMBL11943171

SCHEMBL11943171

O=C(Nc1c(Cl)cc(Cl)cc1Cl)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NC2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 4/20 0.46
▸ DGAT1 O75907 4/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40

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
SCHEMBL11943270 0.77 MAPT (0.48) DCTPP1DGAT1SMN1; SMN2KDM4ENPC1
SCHEMBL11943261 0.75 DCTPP1 (0.47) DCTPP1ALDH1A1SMN1; SMN2
SCHEMBL11943315 0.75 MEN1 (0.57) ALDH1A1SMN1; SMN2KDM4EPKMNPC1
SCHEMBL11943268 0.74 DCTPP1 (0.42) DCTPP1DGAT1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL13304384 0.74 DCTPP1 (0.46) DCTPP1ALDH1A1SMN1; SMN2RXFP1
SCHEMBL11943275 0.74 FAAH (0.52) ALDH1A1KDM4E
SCHEMBL13329125 0.74 FAAH (0.48) DCTPP1SMN1; SMN2KDM4EPKMNPC1
SCHEMBL11943303 0.74 ALDH1A1 (0.55) DCTPP1ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL11943120 0.73 DCTPP1 (0.42) DCTPP1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11943123 0.73 DCTPP1 (0.42) DCTPP1ALDH1A1SMN1; SMN2NPC1RAB9A

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 DCTPP1 625/4885DGAT1 3046/4885ALDH1A1 2437/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 DCTPP1 209/4885DGAT1 4292/4885ALDH1A1 2003/4885

“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