SCHEMBL3859683

SCHEMBL3859683

COCCc1cccc(C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.53
CYP4F2 P78329 3/20 0.51
CYP4A11 Q02928 3/20 0.51
LOXL2 Q9Y4K0 1/20 0.49
MEP1B Q16820 1/20 0.46
IDH1 O75874 1/20 0.45
F10 P00742 2/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F2 P00734 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL3855937 0.90 CYP4F2 (0.52) PARP1CYP4F2CYP4A11LOXL2MEP1B
SCHEMBL12808726 0.85 FOLH1 (0.56) CYP4F2CYP4A11RAB9ASMN1; SMN2
SCHEMBL15019978 0.83 CYP4F2 (0.73) PARP1CYP4F2CYP4A11LOXL2KDM4E
SCHEMBL2824632 0.83 PARP1 (0.56) PARP1CYP4F2CYP4A11LOXL2MEP1B
SCHEMBL7771633 0.81 PARP1 (0.53) PARP1CYP4F2CYP4A11LOXL2MEP1B
SCHEMBL31487553 0.81 PARP1 (0.53) PARP1CYP4F2CYP4A11LOXL2MEP1B
SCHEMBL4165717 0.80 CHEK1 (0.50) PARP1LOXL2MEP1BF10KDM4E
SCHEMBL10144991 0.80 CYP4F2 (0.69) CYP4F2CYP4A11LOXL2MEP1BNPC1
Hydrochloric Acid SCHEMBL27543812 0.79 PARP1 (0.52) PARP1CYP4F2CYP4A11LOXL2MEP1B
SCHEMBL8342426 0.79 TAAR1 (0.55) PARP1LOXL2MEP1B

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544808-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US claimed
EP-1703797-A4 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP claimed
US-20070270453-A1 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US claimed
EP-1534273-A4 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-08-22 EP claimed
US-7253283-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US claimed
EP-1703797-A2 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-κB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2006-09-27 EP claimed
US-6995181-B2 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB CO. (US) 2006-02-07 US claimed
US-20050187242-A1 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2005-08-25 US claimed
WO-2005072132-A2 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-κB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-11 WO claimed
US-20050171136-A1 Modulators of the glucocorticoid receptor and method VACCARO WAYNE (US) 2005-08-04 US claimed
EP-1534273-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD Bristol-Myers Squibb Company (US) 2005-06-01 EP claimed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US claimed
WO-2004009017-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 WO claimed
US-7544808-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
EP-1703797-A4 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-20070270453-A1 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20050171136-A1 Modulators of the glucocorticoid receptor and method VACCARO WAYNE (US) 2005-08-04 US disclosed
EP-1534273-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD Bristol-Myers Squibb Company (US) 2005-06-01 EP disclosed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
WO-2004009017-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 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 (4 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-20070270453-A1 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB1 PARP1 1547/4885CYP4F2 1337/4885CYP4A11 111/4885
US-20050187242-A1 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKBIA, NFKB1 PARP1 1547/4885CYP4F2 1337/4885CYP4A11 111/4885
US-20040132758-A1 Modulators of the glucocorticoid receptor and method NR3C1, NR3C2, MC2R PARP1 3430/4885CYP4F2 689/4885CYP4A11 234/4885
US-20050171136-A1 Modulators of the glucocorticoid receptor and method NR3C1, MC2R, NR3C2 PARP1 4705/4885CYP4F2 474/4885CYP4A11 181/4885

“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.