SCHEMBL3226170

SCHEMBL3226170

COC(=O)C(/C=C/c1cccnc1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
MAPT P10636 3/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
CYP1A1 P04798 7/20 0.50
CYP1A2 P05177 7/20 0.50
CYP1B1 Q16678 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PFKFB3 Q16875 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3226180 1.00 LMNA (0.56) LMNAMAPTRAB9AKDM4ENPC1
SCHEMBL2122980 0.79 MMP2 (0.58) LMNAMAPTRAB9AKDM4ENPC1
SCHEMBL3226185 0.79 LMNA (0.47) LMNAMAPTRAB9AKDM4ENPC1
SCHEMBL28450581 0.77 LMNA (0.53) LMNAMAPTRAB9AKDM4ENPC1
SCHEMBL2184876 0.76 KDM4E (0.67) LMNAMAPTRAB9AKDM4ENPC1
SCHEMBL2184878 0.76 KDM4E (0.67) LMNAMAPTRAB9AKDM4ENPC1
SCHEMBL16585159 0.76 KDM4E (0.67) LMNAMAPTRAB9AKDM4ENPC1
SCHEMBL17787987 0.75 RAB9A (0.56) LMNAMAPTRAB9AKDM4ENPC1
SCHEMBL27945376 0.74 CYP1A2 (0.50) LMNAMAPTRAB9ANPC1CYP1A2
SCHEMBL700810 0.74 SMN1; SMN2 (0.58) LMNAMAPTRAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP disclosed
EP-1957488-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 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-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof CNKSR1, AR, CYP3A43 LMNA 3077/4885MAPT 4436/4885RAB9A 690/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 LMNA 3077/4885MAPT 4436/4885RAB9A 690/4885

“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.