SCHEMBL5072062

SCHEMBL5072062

CC(C)(C)c1ccc(-c2noc(CNCCCNc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TP53 P04637 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ SMN1; SMN2 Q16637 8/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ KLF5 Q13887 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ TNF P01375 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6324564 0.90 ALDH1A1 (0.49) MAPTKMT2ANPC1TSHRLMNA
SCHEMBL6328370 0.88 KMT2A (0.48) MAPTKMT2ATP53NPC1TSHR
SCHEMBL6326079 0.80 HCAR2 (0.41) MAPTKMT2ATSHRALDH1A1MEN1
SCHEMBL6328629 0.76 HDAC1 (0.49) MAPTKMT2ATP53NPC1TSHR
SCHEMBL6328554 0.76 HDAC1 (0.53) MAPTKMT2ATP53TSHRLMNA
SCHEMBL6333028 0.75 HPGD (0.51) MAPTKMT2ATP53NPC1TSHR
SCHEMBL6325574 0.75 TSHR (0.58) MAPTTP53TSHRLMNACYP1A2
SCHEMBL6325569 0.75 HDAC1 (0.49) MAPTKMT2ATP53NPC1TSHR
SCHEMBL6333150 0.74 TP53 (0.50) MAPTTP53TSHRLMNASMN1; SMN2
SCHEMBL6328500 0.74 GAA (0.54) MAPTTP53TSHRLMNACYP1A2

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
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 — — WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 — — US claimed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 — — WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 — — US disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 — — US 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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 MAPT 1336/4885KMT2A 3002/4885TP53 3275/4885

“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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