SCHEMBL360220

SCHEMBL360220

CCOC(=O)c1ccc(OCc2nn(-c3cnn(C)c3)ccc2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAPK1 P28482 1/20 0.38
ESR2 Q92731 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JMJD6 Q6NYC1 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL360085 0.87 PARP10 (0.43) TBXAS1
SCHEMBL14926941 0.86 MAPT (0.42) ALDH1A1NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL14930551 0.85 ALDH1A1 (0.38) ALDH1A1HRH3NPC1RAB9AKDM4E
SCHEMBL360971 0.85 TBXAS1 (0.41) TBXAS1RAB9ATSHRSMN1; SMN2HPGD
SCHEMBL12503425 0.83 MEN1 (0.40) ALDH1A1NPC1RAB9AMCHR1SMN1; SMN2
SCHEMBL359456 0.82 FGFR1 (0.36) NPC1RAB9ATSHRSMN1; SMN2L3MBTL1
SCHEMBL10283805 0.81 NPC1 (0.32) NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL12503516 0.81 DGAT1 (0.39) NPC1RAB9AMAPK1SMN1; SMN2JAK2
SCHEMBL371168 0.81 RAB9A (0.38) HRH3RAB9AMAPK1L3MBTL1
SCHEMBL359308 0.79 HTT (0.40) HRH3NPC1RAB9ASMN1; SMN2HTT

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-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET TBXAS1 1634/4885ALDH1A1 762/4885KCNH2 3255/4885

“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.