SCHEMBL1900535

SCHEMBL1900535

N#Cc1ccc2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.39
TACR3 P29371 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 4/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
CNR1 P21554 1/20 0.36
CASP1 P29466 1/20 0.36
CNR2 P34972 1/20 0.36
CASP7 P55210 1/20 0.36
CYP2C8 P10632 1/20 0.35
PDE2A O00408 4/20 0.35
ALDH1A1 P00352 4/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.35
USP2 O75604 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
HPGD P15428 3/20 0.34
HTT P42858 3/20 0.34

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
SCHEMBL1900240 0.92 VNN1 (0.41) VNN1TACR3SMN1; SMN2MAPTCYP3A4
SCHEMBL1908041 0.87 CYP3A4 (0.37) VNN1TACR3SMN1; SMN2MAPTCYP3A4
SCHEMBL14118764 0.85 TACR3 (0.42) TACR3MAPTCYP3A4ALOX15CYP2C8
SCHEMBL14118761 0.84 IP6K1 (0.41) TACR3CYP3A4CYP2C8PDE2AALDH1A1
SCHEMBL1905065 0.81 AKT1 (0.48) ALOX15ALDH1A1HSD17B10
SCHEMBL1904761 0.81 VNN1 (0.37) VNN1TACR3SMN1; SMN2MAPTCYP3A4
SCHEMBL1904881 0.80 AKT1 (0.42) TACR3CYP3A4CYP2C8PDE2ASCN9A
SCHEMBL1534546 0.79 PLA2G2A (0.42) TACR3MAPTCYP3A4ALOX15CASP1
SCHEMBL1902270 0.79 TACR3 (0.38) VNN1TACR3SMN1; SMN2MAPTALOX15
SCHEMBL1903074 0.78 MAPT (0.36) SMN1; SMN2MAPTCYP3A4ALOX15CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 VNN1 3559/4885TACR3 3761/4885SMN1; SMN2 3152/4885

“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.