SCHEMBL11943330

SCHEMBL11943330

O=c1c(OCCOc2ccccc2)c(N2CCN(C/C=C/c3ccccc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ DCTPP1 Q9H773 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ BCL2A1 Q16548 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 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
SCHEMBL11943458 0.86 SLC6A4 (0.42) LMNAKMT2AHRH3SMN1; SMN2NPC1
SCHEMBL11943387 0.83 LMNA (0.43) LMNAKMT2AMEN1ALDH1A1DCTPP1
SCHEMBL11943322 0.79 SMN1; SMN2 (0.49) LMNAKMT2AMEN1HRH3ALDH1A1
SCHEMBL11943396 0.79 ALDH1A1 (0.45) LMNAKMT2AMEN1ALDH1A1DCTPP1
SCHEMBL11943407 0.79 ALDH1A1 (0.42) LMNAKMT2AMEN1ALDH1A1DCTPP1
SCHEMBL11944103 0.79 ALDH1A1 (0.64) LMNAKMT2AALDH1A1DCTPP1RXFP1
SCHEMBL11944102 0.76 MAPT (0.54) LMNAKMT2AALDH1A1DCTPP1RXFP1
SCHEMBL11945233 0.76 MAPT (0.52) LMNAKMT2AALDH1A1DCTPP1RXFP1
SCHEMBL11943321 0.76 CYP2D6 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL11943339 0.74 ALDH1A1 (0.40) LMNAKMT2AALDH1A1DCTPP1RXFP1

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 LMNA 929/4885KMT2A 3312/4885MEN1 1830/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 LMNA 1760/4885KMT2A 2126/4885MEN1 1878/4885

“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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