SCHEMBL4980294

SCHEMBL4980294

Cc1c(C(=O)O)c(I)cc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
GLA P06280 1/20 0.56
CYP2C19 P33261 1/20 0.56
GRIN2D O15399 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2C Q14957 1/20 0.49
PDE10A Q9Y233 2/20 0.47
TSHR P16473 1/20 0.44
DHODH Q02127 4/20 0.42
CDC25B P30305 3/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.39
NR4A1 P22736 1/20 0.39

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
SCHEMBL7812363 0.82 CYP1A2 (0.60) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL1269455 0.81 KMT2A (0.58) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL538425 0.81 HPGD (0.58) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL5422717 0.81 KDM4E (0.58) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL5179019 0.79 MEN1 (0.56) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL28535619 0.79 KMT2A (0.56) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL8460754 0.77 MEN1 (0.58) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL27363504 0.77 MEN1 (0.53) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL8464718 0.77 MEN1 (0.53) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL497405 0.75 KMT2A (0.66) KMT2AHPGDMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363993-A4 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF I$g(k)B KINASE (IKK) BRISTOL MYERS SQUIBB CO (US) 2008-11-12 EP disclosed
EP-1325009-B1 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2006-03-08 EP disclosed
US-6960585-B2 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-01 US disclosed
US-6869956-B2 Methods of treating inflammatory and immune diseases using inhibitors of IκB kinase (IKK) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-22 US disclosed
EP-1363993-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF I$g(k)B KINASE (IKK) Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
EP-1325009-A2 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2003-07-09 EP disclosed
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) BRISTOL-MYERS SQUIBB COMPANY 2003-01-30 US disclosed
WO-2002060386-A2 METHODS OF TREATING INFLAMMATORY AND IMMUNE DISEASES USING INHIBITORS OF IλB KINASE (IKK) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO disclosed
US-20020072523-A1 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2002-06-13 US disclosed
WO-2002028860-A2 AMINO-SUBSTITUTED TETRACYCLIC COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-11 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-20020072523-A1 Amino-substituted tetracyclic compounds useful as anti-inflammatory agents and pharmaceutical compositions comprising same IL4, IL4I1, MSR1 KMT2A 2115/4885HPGD 2777/4885MEN1 4334/4885
US-20030022898-A1 Methods of treating inflammatory and immune diseases using inhibitors of IkappaB kinase (IKK) NFKBIA, IKBKG, IKBKB KMT2A 616/4885HPGD 1035/4885MEN1 4123/4885

“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.