SCHEMBL5778001

SCHEMBL5778001

COC(=O)c1c(N)cnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 5/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 3/20 0.45
CFTR P13569 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NR4A2 P43354 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
PDE4B Q07343 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
SCHEMBL15414841 0.84 MEN1 (0.59) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL10465977 0.83 HTT (0.55) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL3159333 0.83 MEN1 (0.54) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL14406051 0.83 NUDT1 (0.43) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL25248959 0.81 MEN1 (0.52) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL10466211 0.81 MEN1 (0.52) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL3152210 0.81 MEN1 (0.52) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL2606615 0.80 LCK (0.45) KDM4EHPGDALDH1A1MAPTHSD17B10
SCHEMBL3551759 0.80 PDE10A (0.49) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL3984706 0.80 MEN1 (0.51) MEN1KMT2AKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368345-B1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-03-22 EP disclosed
EP-1368345-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-10 EP disclosed
US-6569860-B2 Alkoxycarbonylamino-heteroaryl carboxylic acid derivatives useful for treating the disorders of the urinary tract, pain, inflammation, respiratory states, edema formation, hypotensive vascular diseases, pain and allergies ROćHE PALO ALTO LLC 2003-05-27 US disclosed
US-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists SYNTEX (USA) LLC 2002-11-14 US disclosed
WO-2002070514-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 WO 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-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists GPBAR1, GCGR, CNR1 MEN1 2920/4885KMT2A 4378/4885KDM4E 4401/4885

“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.