SCHEMBL4904304

SCHEMBL4904304

[c]1ccc(-c2cc3ccccc3o2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MAOB P27338 4/20 0.45
▸ MAOA P21397 3/20 0.45
▸ ALOX5 P09917 1/20 0.42
▸ ADRA2A P08913 2/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40

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
SCHEMBL30036439 0.74 MAOB (0.63) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL103158 0.74 MAOB (0.63) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL4757872 0.73 NPC1 (0.43) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL5644805 0.73 NPC1 (0.46) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL2150402 0.73 MAOB (0.49) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL7852356 0.71 MAOB (0.61) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL2150499 0.71 MAOB (0.59) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL29513414 0.70 PRKDC (0.47) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL2150142 0.70 NPC1 (0.46) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL3049744 0.70 PRKDC (0.47) NPC1RAB9AMAPTMAOBMAOA

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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 — — US disclosed
EP-1694638-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 — — EP disclosed
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 — — US disclosed
WO-2005058808-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 — — 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 (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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 NPC1 1780/4885RAB9A 2459/4885MAPT 4701/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 NPC1 1792/4885RAB9A 2395/4885MAPT 4667/4885

“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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