Sugi Predict

Sugi Predict / Compounds / SCHEMBL4288833

SCHEMBL4288833

SCHEMBL4288833

O=C(OCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3cccc4ccccc34)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TMEM97 Q5BJF2 12/20 0.43
▸ SIGMAR1 Q99720 12/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ ADRA2A P08913 2/20 0.43
▸ ADRA2B P18089 2/20 0.43
▸ HRH2 P25021 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ HRH1 P35367 2/20 0.43
▸ HTR2B P41595 2/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR1E P28566 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 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
SCHEMBL4280573 0.86 TMEM97 (0.46) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL3551235 0.84 ELANE (0.42) MAPTHRH1ELANE
SCHEMBL3554312 0.83 F2 (0.44) ELANE
SCHEMBL4284491 0.81 SIRT6 (0.55) MAPTALDH1A1HTR1AHTR2AHTR2C
SCHEMBL3556392 0.81 ELANE (0.41) MAPTALDH1A1LMNAELANE
SCHEMBL31029998 0.80 TMEM97 (0.50) MAPTALDH1A1TMEM97SIGMAR1HTR1A
SCHEMBL29096726 0.80 TMEM97 (0.50) MAPTALDH1A1TMEM97SIGMAR1HTR1A
SCHEMBL29446168 0.77 TMEM97 (0.55) MAPTALDH1A1TMEM97SIGMAR1HTR1A
SCHEMBL18154906 0.77 TMEM97 (0.55) MAPTALDH1A1TMEM97SIGMAR1HTR1A
SCHEMBL3723277 0.76 SIRT6 (0.41) MAPTALDH1A1HTR2AHTR2CHTR2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-24 — — US disclosed
US-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-24 — — US disclosed
US-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-24 — — US disclosed
WO-2009155399-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-23 — — WO disclosed
WO-2009155399-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-12-23 — — WO 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-20090318470-A1 1-SUBSTITUTED-3-(NAPHTHALEN-1-YLSULFONYL)-5-(PIPERAZIN-1-YL)-1H-INDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, TPH1, HTR2C MAPT 713/4885ALDH1A1 768/4885TMEM97 216/4885

“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.