SCHEMBL6936036

SCHEMBL6936036

O=C(O)Cc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.46
CYP1A2 P05177 3/20 0.45
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
APEX1 P27695 1/20 0.42
FBP1 P09467 2/20 0.42
CYP2D6 P10635 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16397785 1.00 GPR35 (0.46) GPR35CYP1A2TDP1TSHRL3MBTL1
SCHEMBL3535123 0.87 GPR35 (0.54) GPR35CYP1A2TDP1TSHRL3MBTL1
SCHEMBL31442676 0.87 GPR35 (0.43) GPR35CYP1A2TDP1TSHRL3MBTL1
SCHEMBL9450226 0.87 GPR35 (0.43) GPR35CYP1A2TDP1TSHRL3MBTL1
SCHEMBL28137614 0.85 FBP1 (0.54) GPR35CYP1A2TDP1TSHRL3MBTL1
SCHEMBL1373558 0.83 ALDH1A1 (0.44) GPR35TDP1TSHRL3MBTL1ALDH1A1
SCHEMBL1372574 0.82 GPR35 (0.48) GPR35CYP1A2TDP1TSHRALDH1A1
Acetic Acid SCHEMBL28222560 0.82 TDP1 (0.44) GPR35CYP1A2TDP1TSHRL3MBTL1
SCHEMBL6779354 0.82 ALDH1A1 (0.40) GPR35CYP1A2TDP1TSHRL3MBTL1
SCHEMBL19475267 0.81 AKR1B1 (0.56) CYP1A2TDP1TSHRAKR1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
US-20030225127-A1 Heterocyclic sulfonamide derivatives BENDER DAVID MICHAEL (US) 2003-12-04 US disclosed
US-20030220369-A1 Heterocyclic sulfonamide derivatives and their use for potentiating glutamate receptor function FORMAN SCOTT LOUIS (US) 2003-11-27 US disclosed
EP-1313719-A2 HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USE FOR POTENTIATING GLUTAMATE RECEPTOR FUNCTION ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
EP-1309577-A2 HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USE FOR POTENTIATING GLUTAMATE RECEPTOR FUNCTION ELI LILLY AND COMPANY (US) 2003-05-14 EP disclosed
WO-2002014275-A2 HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USE FOR POTENTIATING GLUTAMATE RECEPTOR FUNCTION ELI LILLY AND COMPANY (US) 2002-02-21 WO disclosed
WO-2002014294-A2 HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USE FOR POTENTIATING GLUTAMATE RECEPTOR FUNCTION ELI LILLY AND COMPANY (US) 2002-02-21 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 (3 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB GPR35 2799/4885CYP1A2 402/4885TDP1 4192/4885
US-20030225127-A1 Heterocyclic sulfonamide derivatives GRIN2A, GRIN2B, GRIN1 GPR35 138/4885CYP1A2 1069/4885TDP1 3131/4885
US-20030220369-A1 Heterocyclic sulfonamide derivatives and their use for potentiating glutamate receptor function GRIN2A, GRIN1, GRIN2B GPR35 94/4885CYP1A2 1336/4885TDP1 3424/4885

“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.