SCHEMBL2771072

SCHEMBL2771072

CCOC(=O)C(C)N(S)C(=O)Nc1noc2cccc(N(C)C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AURKB Q96GD4 1/20 0.31
SLC26A6 Q9BXS9 4/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MMP2 P08253 1/20 0.30
MMP13 P45452 1/20 0.30
KCNA5 P22460 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KLK7 P49862 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL2768531 0.87 NLRP3 (0.31) ALDH1A1AURKBTSHRLMNA
SCHEMBL2770485 0.82 SMN1; SMN2 (0.46) SMN1; SMN2TSHRNPC1RAB9ACYP1A2
SCHEMBL2769052 0.81 TSHR (0.39) ALDH1A1AURKBSLC26A6TSHRRAB9A
SCHEMBL2768890 0.81 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2AURKBSLC26A6NPC1
SCHEMBL2771068 0.80 GABRA5 (0.33) ALDH1A1SMN1; SMN2AURKBSLC26A6MMP2
SCHEMBL2768454 0.77 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2AURKBMAPT
SCHEMBL2768525 0.77 LTC4S (0.35) ALDH1A1MEN1KMT2AAURKBTSHR
Cyclohexane SCHEMBL2440381 0.76 KDM4E (0.39) ALDH1A1SMN1; SMN2AURKBTSHRNPC1
SCHEMBL2769685 0.75 LMNA (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2AURKB
SCHEMBL2770498 0.74 KMT2A (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2AURKB

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 ALDH1A1 1965/4885MEN1 3801/4885KMT2A 197/4885

“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.