SCHEMBL11943308

SCHEMBL11943308

O=C(N1CCc2ccc(S(=O)(=O)N3CCN(c4cnn(-c5ccccc5)c(=O)c4N4CCOCC4)CC3)cc2C1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.53
▸ SPR P35270 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NCOA2 Q15596 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ PTPN11 Q06124 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL6160625 0.78 PKM (0.76) PKMSPRALDH1A1HPGDHSD17B10
SCHEMBL11943202 0.76 ALDH1A1 (0.57) ALDH1A1NPC1RAB9APOLBCYP3A4
SCHEMBL11943209 0.76 ALDH1A1 (0.56) PKMALDH1A1NPC1RAB9AHSD17B10
SCHEMBL13329619 0.73 ALDH1A1 (0.59) PKMALDH1A1NPC1RAB9AHSD17B10
SCHEMBL13304476 0.71 SMN1; SMN2 (0.65) ALDH1A1NPC1RAB9APOLBGAA
SCHEMBL11943299 0.70 POLB (0.57) PKMALDH1A1NPC1RAB9APOLB
SCHEMBL11943110 0.70 DCTPP1 (0.49) PKMALDH1A1NPC1RAB9AMAPT
SCHEMBL11943187 0.70 MAPT (0.56) ALDH1A1NPC1RAB9AHPGDPOLB
SCHEMBL13329625 0.69 SLC6A9 (0.48) ALDH1A1NPC1RAB9AHSD17B10TP53
SCHEMBL18701651 0.69 PKM (0.60) PKMSPRALDH1A1HPGDHSD17B10

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 PKM 241/4885SPR 544/4885ALDH1A1 2437/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 PKM 190/4885SPR 442/4885ALDH1A1 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.

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