SCHEMBL11943316

SCHEMBL11943316

COc1ccc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCCCN(C)C)CC2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ DCTPP1 Q9H773 1/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 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
SCHEMBL11946600 0.91 LMNA (0.52) LMNAHSD17B10TSHRUSP2GLA
SCHEMBL11954274 0.87 ALDH1A1 (0.64) LMNAHSD17B10TSHRUSP2ALDH1A1
SCHEMBL11943183 0.86 ALDH1A1 (0.58) LMNATSHRUSP2MAPK1ALDH1A1
SCHEMBL13304784 0.82 MAPT (0.44) LMNAALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL11946583 0.77 ALDH1A1 (0.61) LMNATSHRUSP2MAPK1ALDH1A1
SCHEMBL11943304 0.76 ALDH1A1 (0.51) LMNATSHRALDH1A1KDM4EPOLB
SCHEMBL11945038 0.76 ALDH1A1 (0.56) LMNAHSD17B10TSHRUSP2ALDH1A1
SCHEMBL11943282 0.75 ALDH1A1 (0.49) LMNAUSP2ALDH1A1KDM4EPOLB
SCHEMBL11946580 0.75 RAB9A (0.52) LMNATSHRALDH1A1POLBHTT
SCHEMBL11943609 0.74 MAPT (0.50) LMNATSHRALDH1A1KDM4EPOLB

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 929/4885HSD17B10 1101/4885TSHR 4729/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 LMNA 1760/4885HSD17B10 2520/4885TSHR 4577/4885

“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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