SCHEMBL11946497

SCHEMBL11946497

O=c1c(OC2CCCC2)c(N2CCC(S(=O)(=O)N(CCBr)c3ccccc3)CC2)cnn1-c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ POLB P06746 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ SLC2A3 P11169 1/20 0.32

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
SCHEMBL11946085 0.92 MEN1 (0.37) NPC1RAB9ASMN1; SMN2POLBCYP3A4
SCHEMBL11946088 0.81 POLB (0.40) NPC1RAB9ASMN1; SMN2POLBCYP3A4
SCHEMBL11943998 0.78 POLB (0.47) NPC1RAB9ASMN1; SMN2POLBCYP3A4
SCHEMBL11945120 0.78 MAPT (0.52) SMN1; SMN2POLBCYP3A4CYP2C19PPARG
SCHEMBL11945125 0.78 MAPT (0.46) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945823 0.77 POLB (0.50) NPC1RAB9ASMN1; SMN2POLBCYP3A4
SCHEMBL14081483 0.77 POLB (0.39) NPC1RAB9ASMN1; SMN2POLBCYP3A4
SCHEMBL11944021 0.77 MAPT (0.46) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945124 0.77 ALDH1A1 (0.52) SMN1; SMN2POLBCYP3A4CYP2C19PPARG
SCHEMBL11945822 0.77 POLB (0.44) NPC1RAB9ASMN1; SMN2POLBCYP3A4

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 4 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-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 (1 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 NPC1 2179/4885RAB9A 4688/4885SMN1; SMN2 3911/4885

“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.

Send feedback