SCHEMBL16632447

SCHEMBL16632447

N#Cc1cc2c(Oc3ccccc3O)cccn2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.39
GRM5 P41594 3/20 0.35
NR1I2 O75469 1/20 0.33
HSD11B1 P28845 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
CYP11B1 P15538 1/20 0.32
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
JAK2 O60674 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL16632571 0.87 GRM5 (0.37) ARGRM5
SCHEMBL16632602 0.87 GRM5 (0.37) ARGRM5
SCHEMBL16632433 0.86 TTR (0.44) ARNR1I2HSD11B1LMNAMAPT
SCHEMBL16632725 0.84 GRM5 (0.34) ARGRM5
SCHEMBL16632488 0.83 AR (0.48) ARGRM5CA1CA2TP53
SCHEMBL16632649 0.83 GRM5 (0.41) ARGRM5CA1CA2TP53
SCHEMBL16632457 0.83 AR (0.36) ARGRM5NR1I2HSD11B1CYP11B1
SCHEMBL16632575 0.83 AR (0.39) ARGRM5CYP11B1MAPT
SCHEMBL16632402 0.78 TSHR (0.38) GRM5NR1I2HSD11B1CA1CA2
SCHEMBL16632561 0.76 AR (0.41) ARGRM5TSHRSLC22A12LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR AR 3070/4885GRM5 2115/4885NR1I2 3463/4885

“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.