SCHEMBL2525989

SCHEMBL2525989

FC(F)(F)C1(c2cccc(CBr)c2)N=N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
GABRB3 P28472 5/20 0.40
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB2 P47870 2/20 0.40
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
RIPK1 Q13546 1/20 0.33
KIF11 P52732 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
KDM1A O60341 2/20 0.30

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
SCHEMBL2528314 0.84 GABRA1 (0.41) ADRA2AGABRB3GABRA1GABRG2GABRB2
SCHEMBL22587363 0.82 ADRA2A (0.49) ADRA2AGABRB3GABRA1GABRG2GABRB2
SCHEMBL28344739 0.79 TRPA1 (0.33) TRPA1ALDH1A1TSHROPRM1OPRL1
SCHEMBL16050167 0.79 AKR1B1 (0.43) ADRA2AGABRB3GABRA1GABRG2GABRB2
SCHEMBL14619519 0.77 TRPA1 (0.34) TRPA1ALDH1A1TSHROPRM1OPRL1
SCHEMBL2535263 0.77 KIF11 (0.42) ADRA2AGABRB3GABRA1GABRG2GABRB2
SCHEMBL5487704 0.75 GABRB3 (0.41) GABRB3GABRA1GABRG2
SCHEMBL586923 0.74 ADRA2A (0.43) ADRA2AGABRB3GABRA1GABRG2GABRB2
SCHEMBL2525541 0.74 ADRA2A (0.47) ADRA2AGABRB3GABRA1GABRG2GABRB2
SCHEMBL3724536 0.74 ADRA2A (0.43) ADRA2AGABRB3GABRA1GABRG2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005936-B2 Photoactive bioadhesive compositions NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-06-26 US claimed
US-20150315434-A1 New Photoactive Bioadhesive Compositions NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-11-05 US claimed
WO-2014081391-A1 NEW PHOTOACTIVE BIOADHESIVE COMPOSITIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-05-30 WO claimed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
US-10005936-B2 Photoactive bioadhesive compositions NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-06-26 US disclosed
US-20150315434-A1 New Photoactive Bioadhesive Compositions NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-11-05 US disclosed
WO-2014081391-A1 NEW PHOTOACTIVE BIOADHESIVE COMPOSITIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-05-30 WO disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
EP-1749011-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-07 EP disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors NAIDU B N 2006-12-07 US disclosed
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-07 US disclosed
WO-2005118593-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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 (5 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-10005936-B2 Photoactive bioadhesive compositions L1CAM, CDH1, PCNA ADRA2A 1906/4885GABRB3 524/4885GABRA1 158/4885
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 ADRA2A 4041/4885GABRB3 2723/4885GABRA1 1911/4885
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 ADRA2A 4041/4885GABRB3 2723/4885GABRA1 1911/4885
US-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 ADRA2A 4794/4885GABRB3 4806/4885GABRA1 4736/4885
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 ADRA2A 4041/4885GABRB3 2723/4885GABRA1 1911/4885

“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.