SCHEMBL2769040

SCHEMBL2769040

CCCC1CCC(c2ccc(NC(=S)Nc3noc4cccc(OCC(F)(F)F)c34)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ SGMS2 Q8NHU3 6/20 0.33
▸ SGMS1 Q86VZ5 3/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1I Q9P0X4 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL2785389 0.81 LMNA (0.38) HTR4ALDH1A1LMNAMAPTCYP2C9
SCHEMBL2771745 0.81 ALDH1A1 (0.45) ALDH1A1MAPTSGMS2SGMS1MEN1
SCHEMBL2786526 0.80 PTGES (0.41) ALDH1A1LMNAMAPTSGMS2SGMS1
SCHEMBL2769338 0.76 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSGMS2SGMS1
SCHEMBL3560643 0.71 SGMS2 (0.37) SGMS2SGMS1
SCHEMBL2767548 0.70 KCNA5 (0.36) MAPTSGMS2SGMS1MEN1KMT2A
SCHEMBL2767898 0.70 NPC1 (0.37) SGMS2SGMS1
SCHEMBL2439003 0.68 KDM4E (0.42) MAPTSGMS2SGMS1KMT2A
SCHEMBL2768798 0.68 KCNA5 (0.45) HTR4SGMS2SGMS1
SCHEMBL2770355 0.67 SMN1; SMN2 (0.49) ALDH1A1MAPT

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
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 — — EP claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 — — US claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 — — US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 — — 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 HTR4 580/4885ALDH1A1 1965/4885LMNA 1716/4885

“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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