SCHEMBL12876174

SCHEMBL12876174

Cc1cccc(-c2nc(Cn3cc(C(=O)O)cn3)c(C)s2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HTR2C P28335 1/20 0.36
KLKB1 P03952 7/20 0.35
CREBBP Q92793 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34
SHMT1 P34896 1/20 0.34
SHMT2 P34897 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL12876170 0.88 RARA (0.39) POLBHTR2CKLKB1RARARARB
SCHEMBL12876089 0.88 L3MBTL1 (0.41) L3MBTL1POLBTDP1HSD17B10KLKB1
SCHEMBL1198155 0.88 EIF4E (0.38) L3MBTL1POLBTDP1HSD17B10KLKB1
SCHEMBL1197772 0.81 MPL (0.40) L3MBTL1KLKB1
SCHEMBL30617732 0.81 MPL (0.40) L3MBTL1KLKB1
SCHEMBL12876184 0.80 KCNH2 (0.43) L3MBTL1POLBTDP1HSD17B10KLKB1
SCHEMBL1198409 0.80 L3MBTL1 (0.37) L3MBTL1POLBTDP1KLKB1RARA
SCHEMBL12875936 0.79 RARA (0.43) L3MBTL1POLBTDP1KLKB1RARA
SCHEMBL1198824 0.77 GRM2 (0.38) L3MBTL1POLBKLKB1RARARARB
SCHEMBL12876075 0.77 GRM2 (0.42) HSD17B10KLKB1RARARARBRARG

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A L3MBTL1 4726/4885POLB 4137/4885TDP1 1974/4885

“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.