SCHEMBL5165375

SCHEMBL5165375

Cc1nc(-c2cccc(OOC(=O)Cc3ccccc3)c2)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL12747584 0.79 L3MBTL1 (0.57) L3MBTL1POLBADORA2AADORA1FFAR4
SCHEMBL7295341 0.77 SPHK2 (0.59) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12747582 0.77 L3MBTL1 (0.62) L3MBTL1POLBADORA2AADORA1TSHR
SCHEMBL783030 0.74 LMNA (0.65) L3MBTL1POLBADORA2AALDH1A1TSHR
SCHEMBL5165370 0.74 L3MBTL1 (0.54) L3MBTL1POLBADORA2AALDH1A1TSHR
Acetic Acid SCHEMBL2343497 0.73 TSHR (0.51) L3MBTL1ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL6298662 0.73 L3MBTL1 (0.52) L3MBTL1POLBTSHRNPC1RAB9A
SCHEMBL14539768 0.73 L3MBTL1 (0.52) L3MBTL1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7116372 0.72 L3MBTL1 (0.59) L3MBTL1ALDH1A1TSHRFFAR4NPC1
SCHEMBL6565112 0.72 L3MBTL1 (0.59) L3MBTL1POLBADORA2AADORA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
US-6946489-B2 Substituted biphenyl derivatives MERCK PATENT GMBH (DE) 2005-09-20 US disclosed
US-20040220241-A1 Substituted biphenyl derivatives MERCK PATENT GMBH (DE) 2004-11-04 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (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-20040220241-A1 Substituted biphenyl derivatives APOB, F2R, BDKRB1 L3MBTL1 1536/4885POLB 675/4885RECQL 276/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 L3MBTL1 389/4885POLB 4221/4885RECQL 398/4885

“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.