SCHEMBL1111733

SCHEMBL1111733

c1ccc(-c2ccccc2CC2(OCCN3CCOCC3)CC[N]CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ DRD1 P21728 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD5 P21918 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PRKAB2 O43741 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 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
SCHEMBL1111945 0.90 KDM4E (0.43) KDM4EPOLBL3MBTL1DRD1DRD4
SCHEMBL1111731 0.89 KDM4E (0.45) KDM4EPOLBL3MBTL1DRD1DRD4
SCHEMBL3956065 0.87 KDM4E (0.47) KDM4ENPC1RAB9APOLBL3MBTL1
SCHEMBL28195866 0.68 HTR7 (0.69) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL29415418 0.68 HTR7 (0.69) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL14028115 0.68 LTA4H (0.46) KDM4ENPC1RAB9APOLBDRD1
SCHEMBL13503692 0.66 OPRM1 (0.45) KDM4ENPC1RAB9APOLBDRD1
SCHEMBL4857927 0.65 USP2 (0.88) KDM4EPOLBL3MBTL1USP2MEN1
SCHEMBL11663287 0.64 USP2 (0.81) KDM4EPOLBL3MBTL1USP2MEN1
SCHEMBL1111683 0.63 HTR7 (0.64) DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 — — US disclosed
EP-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 — — EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 — — 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 KDM4E 2913/4885NPC1 2292/4885RAB9A 3408/4885

“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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