SCHEMBL2770035

SCHEMBL2770035

COc1cccc2onc(N(S)C(=O)NCCN3CCOCC3)c12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
RXFP1 Q9HBX9 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 3/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
BCL3 P20749 1/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CD274 Q9NZQ7 1/20 0.42

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
SCHEMBL2770032 0.76 ALDH1A1 (0.55) KDM4EHSD17B10KMT2ANPC1CYP2C19
SCHEMBL2767451 0.74 ALDH1A1 (0.48) KMT2ABCL3LMNAPOLBALDH1A1
SCHEMBL2769787 0.74 HIF1A (0.52) NPC1RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL2786542 0.71 POLB (0.44) KDM4EHSD17B10RXFP1NPC1BCL3
SCHEMBL2768864 0.71 KCNA5 (0.47) HSD17B10KMT2ALMNAPOLBALDH1A1
SCHEMBL29530276 0.69 LMNA (0.73) KDM4EHSD17B10RXFP1KMT2ACYP2C9
SCHEMBL2769354 0.66 MAPT (0.48) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL2769006 0.65 HPGD (0.43) KDM4EHSD17B10NPC1RAB9ALMNA
SCHEMBL2769340 0.65 MAPT (0.44) KMT2ACYP2C19LMNAALDH1A1SMN1; SMN2
SCHEMBL6837594 0.65 RXFP1 (1.00) KDM4EHSD17B10RXFP1KMT2ACYP2C9

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 KDM4E 276/4885HSD17B10 3447/4885RXFP1 2624/4885

“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.