SCHEMBL12876109

SCHEMBL12876109

Cc1cc(Cl)cc(-c2nc(Cn3cc(C(=O)O)cn3)c(C)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHODH Q02127 1/20 0.37
EGLN1 Q9GZT9 2/20 0.36
KLKB1 P03952 4/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
ALKBH1 Q13686 1/20 0.35
CYP2C9 P11712 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KCNH2 Q12809 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL1198548 0.88 EGLN1 (0.39) L3MBTL1HSD17B10POLBTDP1EGLN1
SCHEMBL12876105 0.88 RARA (0.40) KLKB1RARARARBRARGKDM4E
SCHEMBL12876102 0.88 L3MBTL1 (0.39) L3MBTL1DHODHEGLN1KLKB1RARA
SCHEMBL1198936 0.88 L3MBTL1 (0.39) L3MBTL1HSD17B10POLBDHODHEGLN1
SCHEMBL12875936 0.84 RARA (0.43) L3MBTL1POLBTDP1DHODHEGLN1
SCHEMBL12876184 0.83 KCNH2 (0.43) L3MBTL1HSD17B10POLBTDP1KLKB1
SCHEMBL12876052 0.83 DHODH (0.42) L3MBTL1POLBTDP1DHODHEGLN1
SCHEMBL12876055 0.82 DHODH (0.40) L3MBTL1TDP1DHODHKLKB1RARA
SCHEMBL12876094 0.81 KCNH2 (0.43) L3MBTL1HSD17B10EGLN1KLKB1RARA
SCHEMBL1199405 0.79 KCNH2 (0.48) HSD17B10EGLN1KCNH2KDM4ESMN1; SMN2

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 4726/4885HSD17B10 415/4885POLB 4137/4885

“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.