SCHEMBL11943429

SCHEMBL11943429

O=c1c(OC2Cc3ccccc3C2)c(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ FAAH O00519 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ SERPINE1 P05121 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DRD4 P21917 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
SCHEMBL11943397 0.87 BCL2L1 (0.48) POLBALDH1A1LMNAMAPTKMT2A
SCHEMBL11943368 0.87 ALDH1A1 (0.43) SMOKDM4EPOLBTSHRALDH1A1
SCHEMBL11943470 0.87 DRD4 (0.43) SMOKDM4EPOLBALDH1A1LMNA
SCHEMBL11943413 0.85 SMO (0.49) SMOKDM4EPOLBTSHRFAAH
SCHEMBL11943344 0.83 SMN1; SMN2 (0.42) POLBALDH1A1LMNAMAPTRXFP1
SCHEMBL11943432 0.82 CYP2D6 (0.48) KDM4ETSHRFAAHALDH1A1SIGMAR1
SCHEMBL11943340 0.81 ALDH1A1 (0.42) SMOKDM4EPOLBALDH1A1HPGD
SCHEMBL14081494 0.80 SMN1; SMN2 (0.39) POLBALDH1A1LMNAMAPTRXFP1
SCHEMBL11943341 0.79 SIGMAR1 (0.48) POLBALDH1A1SIGMAR1LMNAMAPT
SCHEMBL11943360 0.79 ALDH1A1 (0.53) KDM4EPOLBFAAHALDH1A1HPGD

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 SMO 4431/4885KDM4E 1548/4885POLB 1088/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 SMO 3100/4885KDM4E 1706/4885POLB 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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