SCHEMBL6205542

SCHEMBL6205542

C[C@](N)(C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ATM Q13315 2/20 0.47
PBRM1 Q86U86 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
NR4A2 P43354 2/20 0.44
MAPK1 P28482 1/20 0.44
CREBBP Q92793 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
CFTR P13569 1/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
APAF1 O14727 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
MPO P05164 1/20 0.43
TSHR P16473 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
SCHEMBL1810243 1.00 ALDH1A1 (0.47) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL30410283 0.84 ALDH1A1 (0.45) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL18932184 0.84 ALDH1A1 (0.45) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL4736469 0.84 ALDH1A1 (0.45) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL17866728 0.83 PBRM1 (0.50) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL8131871 0.83 NR4A2 (0.51) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL6288556 0.82 PBRM1 (0.49) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL5172407 0.82 PBRM1 (0.49) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL5174863 0.82 PBRM1 (0.49) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL29433056 0.81 ALDH1A1 (0.42) ALDH1A1ATMPBRM1GPR84NR4A2

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
EP-1313736-B1 CONDENSED PYRAZINDIONE DERIVATIVES AS INHIBITORS OF PDE5 LILLY ICOS LLC (US) 2005-07-27 EP disclosed
US-6903099-B2 Condensed pyrazindione derivatives LILLY ICOS LLC (US) 2005-06-07 US disclosed
US-20030181457-A1 Chemical compounds LILLY ICOS LLC 2003-09-25 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-20030181457-A1 Chemical compounds ABCG2, SDHA, CYP11B1 ALDH1A1 126/4885ATM 2361/4885PBRM1 2751/4885

“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.