SCHEMBL4615964

SCHEMBL4615964

CC(C)(C)c1ccc(C(=O)N2CCC(N)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.67
▸ KMT2A Q03164 7/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ HTT P42858 2/20 0.67
▸ HPGD P15428 2/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ RAB9A P51151 1/20 0.59
▸ TRPC6 Q9Y210 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ HSD11B1 P28845 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ L3MBTL3 Q96JM7 1/20 0.51

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
Hydrochloric Acid SCHEMBL4618854 0.98 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL4617137 0.91 MEN1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL15180027 0.89 MEN1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL1136719 0.87 L3MBTL3 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL15317667 0.86 MEN1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL15470627 0.86 MEN1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL1136918 0.85 L3MBTL3 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
Bromide SCHEMBL1136932 0.85 L3MBTL3 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL23775473 0.84 GAA (0.74) MEN1KMT2AHPGDGAATDP1
SCHEMBL17886801 0.84 MEN1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2HTT

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-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 — — US disclosed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 — — WO disclosed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 — — EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 — — US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 — — 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 (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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT MEN1 3118/4885KMT2A 4518/4885ALDH1A1 1117/4885
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 MEN1 886/4885KMT2A 3832/4885ALDH1A1 1865/4885

“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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