SCHEMBL4313616

SCHEMBL4313616

CCN(CC)CCOc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 2/20 0.49
CHRNA7 P36544 1/20 0.49
MAOB P27338 1/20 0.45
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
LTA4H P09960 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.42
SMARCA2 P51531 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH3A1 P30838 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
SCHEMBL6202695 0.87 CHRNB2 (0.56) KCNH2MAPTLTA4HALDH1A1LMNA
SCHEMBL13900803 0.85 MAPT (0.57) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1665803 0.85 MAPT (0.55) KCNH2MAPTKMT2ACHRNA7MAOB
SCHEMBL6117534 0.82 MAPT (0.63) MAPTKMT2AHTTCYP1A2CYP2D6
SCHEMBL2443194 0.82 MAPT (0.53) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3858737 0.82 KDM4E (0.56) KCNH2MAPTKMT2ACHRNA7MAOB
SCHEMBL4716958 0.81 MAPT (0.49) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2976365 0.81 MAPT (0.50) KCNH2MAPTKMT2ACHRNA7MAOB
SCHEMBL10656030 0.80 MAPT (0.45) KCNH2MAPTKMT2ACHRNA7ALDH1A1
SCHEMBL8702336 0.80 MAPT (0.47) MAPTALDH1A1LMNASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101111483-B IGF-1R inhibitors KYOWA HAKKO KIRIN CO.,LTD. (JP) 2011-12-14 CN disclosed
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
CN-101111483-A IGF-1R inhibitors KYOWA HAKKO KOGYO KK (JP) 2008-01-23 CN disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed
EP-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
US-6627650-B2 An isomer thereof, or an addition salt thereof with a pharmaceutically acceptable acid or base. Medicinal products containing the same which are useful as anti- cancer agents. LES LABORATOIRES SERVIER (FR) 2003-09-30 US disclosed
US-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent LES LABORATOIRES SERVIER (FR) 2003-07-03 US disclosed
EP-1266887-A2 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 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 (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-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent IDO1, IDO2, AHR KCNH2 3005/4885MAPT 4727/4885KMT2A 1021/4885
US-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 KCNH2 1785/4885MAPT 4175/4885KMT2A 1924/4885

“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.