SCHEMBL2176651

SCHEMBL2176651

COc1ccc(CNC(=O)CNc2cccc(Cl)c2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.53
▸ ALDH1A1 P00352 7/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL21773974 0.82 HPGD (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL2176654 0.81 ALDH1A1 (0.60) THRBALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL28667602 0.78 MT-CO2 (0.78) KMT2AMEN1MAPTLMNA
SCHEMBL13894125 0.78 MRGPRX4 (0.52) ALDH1A1KMT2AL3MBTL1MEN1RAB9A
SCHEMBL16562161 0.76 MEN1 (0.70) THRBALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL8118459 0.76 CA12 (0.69) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL6358788 0.74 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL12069429 0.73 HSD11B1 (0.56) THRBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14719339 0.73 ALDH2 (0.58) THRBALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL12407227 0.72 PTGER1 (0.58) THRBSMN1; SMN2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050446-B1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-05-07 — — EP disclosed
EP-2050446-B1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-05-07 — — EP disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 — — US disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 — — US disclosed
US-7973078-B2 Sulfonamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-05 — — US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 — — US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 — — US disclosed
US-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-12-17 — — US disclosed
EP-2050446-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-22 — — EP disclosed
EP-2050446-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-22 — — EP 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-20090312328-A1 SULFONAMIDE COMPOUND OR SALT THEREOF PTGER1, CYSLTR1, PTGER2 THRB 2988/4885ALDH1A1 511/4885SMN1; SMN2 731/4885

“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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