SCHEMBL4552373

SCHEMBL4552373

Brc1cccc(C2CCc3ccc(I)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
HTR2B P41595 5/20 0.39
HRH3 Q9Y5N1 4/20 0.39
KDM1A O60341 4/20 0.38
EPAS1 Q99814 3/20 0.37
GID4 Q8IVV7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL17748868 0.76 IGF1R (0.47) HTR2AHTR2CHTR2BKDM1AMAOA
SCHEMBL7075150 0.73 GID4 (0.63) MEN1NPC1RAB9AKMT2AHTR2A
SCHEMBL2489998 0.68 CYP19A1 (0.58) MEN1NPC1RAB9AKMT2AHTR2A
SCHEMBL2488834 0.68 KDM4E (0.43) MEN1NPC1RAB9AKMT2AHTR2A
SCHEMBL20856064 0.67 GID4 (0.63) MEN1KMT2AGID4ALDH1A1IGF1R
SCHEMBL22547380 0.65 ACHE (0.44)
SCHEMBL22547852 0.65 CHRM4 (0.40) MAOAMAOB
SCHEMBL27520396 0.65 IGF1R (0.38) HTR2AGID4TSHRIGF1RALOX15
SCHEMBL1144004 0.65 PDE1B (0.47) HTR2AHTR2CHTR2BKDM1AGID4
SCHEMBL12291861 0.65 HTR2A (0.40) RAB9AHTR2AHTR2CHTR2BKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324401-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-7592461-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1973890-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2008-10-01 EP disclosed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 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-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB1, NR3C1, NR5A1 MEN1 3604/4885NPC1 1228/4885RAB9A 2892/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 MEN1 3500/4885NPC1 1204/4885RAB9A 2834/4885

“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.