SCHEMBL1596468

SCHEMBL1596468

COC(OC)c1ccc(OCCN2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 5/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHEK1 O14757 1/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL1596878 0.81 POLB (0.47) ALDH1A1KDM4ENPC1MAPTPOLB
SCHEMBL213401 0.81 CYP1A2 (0.65) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1596995 0.81 POLB (0.52) ALDH1A1KDM4EMAPTPOLBSYK
SCHEMBL5692235 0.80 CYP1A2 (0.60) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1596501 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL1598446 0.79 CYP1A2 (0.59) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL375129 0.79 KDM4E (0.65) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4106609 0.78 CHEK1 (0.60) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4834964 0.78 ALDH1A1 (0.66) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2305590 0.78 CYP1A2 (0.58) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919517-B2 Indazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-05 US disclosed
US-20090082348-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-03-26 US disclosed
US-7470717-B2 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-12-30 US disclosed
US-20070117856-A1 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
US-20060281789-A1 Protein kinase inhibitors KYOWA HAKKO KOGYO CO., LTD (JP) 2006-12-14 US disclosed
EP-1652842-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1650194-A1 PROTEIN KINASE INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-26 EP 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 (3 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-20060281789-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K19 ALDH1A1 2999/4885KDM4E 1355/4885NPC1 1826/4885
US-20070117856-A1 Indazole derivatives IGF1R, NR0B2, ADRA2B ALDH1A1 1193/4885KDM4E 2972/4885NPC1 2845/4885
US-20090082348-A1 INDAZOLE DERIVATIVES IGF1R, NR0B2, ADRA2B ALDH1A1 1193/4885KDM4E 2972/4885NPC1 2845/4885

“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.