SCHEMBL11943206

SCHEMBL11943206

CN1CCN(c2c(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ DCTPP1 Q9H773 3/20 0.49
▸ MAPT P10636 1/20 0.48
▸ GBA1 P04062 2/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ GAA P10253 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 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
SCHEMBL11943201 0.84 POLB (0.53) KMT2ALMNAPOLBSMN1; SMN2MEN1
SCHEMBL13329124 0.83 POLB (0.54) KMT2ALMNAPOLBSMN1; SMN2MEN1
SCHEMBL11943178 0.80 ALDH1A1 (0.55) KMT2ALMNAPOLBSMN1; SMN2MEN1
SCHEMBL11943299 0.79 POLB (0.57) KMT2ALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL11943283 0.79 MAPT (0.60) KMT2ALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL11943288 0.78 LMNA (0.60) KMT2ALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL11943312 0.76 ALDH1A1 (0.51) KMT2ALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL13304476 0.76 SMN1; SMN2 (0.65) KMT2ALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL13328760 0.76 LMNA (0.53) KMT2ALMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL11943314 0.76 ALDH1A1 (0.52) KMT2ALMNAPOLBSMN1; SMN2MEN1

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 KMT2A 3312/4885LMNA 929/4885POLB 1088/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 KMT2A 2126/4885LMNA 1760/4885POLB 1016/4885

“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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