SCHEMBL958491

SCHEMBL958491

CCOC(=O)c1n[nH]c2cc(CNC(=O)OC(C)(C)C)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 5/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK10 P53779 1/20 0.41

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
SCHEMBL27757355 0.87 L3MBTL1 (0.47) KDM4ELMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL12124009 0.81 CYP1A2 (0.47) KDM4ELMNAMAPTL3MBTL1CYP1A2
SCHEMBL963438 0.78 KDM4E (0.63) KDM4ELMNASMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL963437 0.77 KDM4E (0.61) KDM4ELMNASMN1; SMN2ALDH1A1POLB
SCHEMBL15077179 0.76 KDM4E (0.63) KDM4ELMNASMN1; SMN2ALDH1A1POLB
SCHEMBL12090413 0.75 KDM4E (0.69) KDM4ELMNASMN1; SMN2ALDH1A1POLB
SCHEMBL177200 0.74 KDM4E (0.68) KDM4ELMNASMN1; SMN2ALDH1A1POLB
SCHEMBL13337410 0.74 KDM4E (0.68) KDM4ELMNASMN1; SMN2ALDH1A1POLB
SCHEMBL3905352 0.74 HTT (0.59) LMNASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL15730249 0.74 L3MBTL1 (0.47) SMN1; SMN2MAPTL3MBTL1CYP1A2NPSR1

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
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 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 (2 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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 KDM4E 2887/4885LMNA 2675/4885SMN1; SMN2 3238/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 KDM4E 2887/4885LMNA 2675/4885SMN1; SMN2 3238/4885

“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.