SCHEMBL2535930

SCHEMBL2535930

Fc1cc2cc[nH]c2c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.50
TNF P01375 1/20 0.45
RIPK1 Q13546 1/20 0.45
AHR P35869 7/20 0.39
AR P10275 1/20 0.34
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 4/20 0.31
SLC6A3 Q01959 4/20 0.31
CYP2D6 P10635 3/20 0.31
KCNH2 Q12809 1/20 0.31
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
BRD4 O60885 1/20 0.31
TAF1 P21675 1/20 0.31
BRPF1 P55201 1/20 0.31
CREBBP Q92793 1/20 0.31
CECR2 Q9BXF3 1/20 0.31
BRD9 Q9H8M2 1/20 0.31

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
SCHEMBL20354848 0.81 TNF (0.55) GPR84TNFRIPK1AHRIKBKB
SCHEMBL30950714 0.81 GPR84 (0.45) GPR84TNFRIPK1AHRNR4A2
SCHEMBL18876104 0.81 TNF (0.46) GPR84TNFRIPK1AHRAR
SCHEMBL1741436 0.78 TNF (0.38) GPR84TNFRIPK1AHRIKBKB
SCHEMBL18876057 0.78 TNF (0.38) GPR84TNFRIPK1AHRIKBKB
SCHEMBL10179175 0.78 CSNK2A1 (0.41) GPR84TNFRIPK1AHRIKBKB
SCHEMBL29991075 0.78 TNF (0.47) GPR84TNFRIPK1AHRIKBKB
SCHEMBL17392810 0.77 GPR84 (0.41) GPR84TNFRIPK1AHRIKBKB
SCHEMBL5186145 0.75 PTPRC (0.45) GPR84TNFRIPK1IKBKBCHUK
SCHEMBL2537028 0.74 TNF (0.63) GPR84TNFRIPK1AHRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018033-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2024-06-25 US disclosed
US-20240150313-A1 TRI-SUBSTITUTED INDOLE BINDING FUNCTION 3 (BF3) COMPOUNDS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2024-05-09 US disclosed
EP-4323372-A1 TRI-SUBSTITUTED INDOLE BINDING FUNCTION 3 (BF3) COMPOUNDS AND METHODS FOR THEIR USE The University Of British Columbia (CA) 2024-02-21 EP disclosed
CN-116462814-A Indolocarbazole covalent organic framework material and preparation method and application thereof 江南大学 2023-07-21 CN disclosed
EP-4182320-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2023-05-24 EP disclosed
WO-2022219541-A1 TRI-SUBSTITUTED INDOLE BINDING FUNCTION 3 (BF3) COMPOUNDS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-10-20 WO disclosed
US-11453676-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2022-09-27 US disclosed
WO-2022020342-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2022-01-27 WO disclosed
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
WO-2006039717-A2 METHODS OF DETERMINING PRECISE HERG INTERACTIONS AND ALTERING COMPOUNDS BASED ON SAID INTERACTIONS NEURION PHARMACEUTICALS, INC. (US) 2006-04-13 WO disclosed
US-20060014159-A1 Methods of determining precise HERG interactions and designing compounds based on said interactions NEURION PHARMACEUTICALS, INC. (US) 2006-01-19 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
EP-1578992-A2 METHODS OF DETERMINING PRECISE HERG INTERACTIONS AND ALETRING COMPOUNDS BASED ON SAID INTERACTIONS Neurion Pharmaceuticals, Inc. (US) 2005-09-28 EP disclosed
WO-2005086611-A2 METHODS OF PRECISE MOLECULAR-LEVEL DETERMINATION OF LIGAND-RECEPTOR INTERACTIONS AND DESIGNING SELECTIVE DRUG COMPOUNDS BASED ON SAID INTERACTIONS NEURION PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
US-20050009103-A1 Methods of precise molecular-level determination of ligand-receptor interactions and designing selective drug compounds based on said interactions NEURION PHARMACEUTICALS (US) 2005-01-13 US disclosed
US-20040259256-A1 Methods of unnatural amino acid incorporation in mammalian cells NEURION PHARMACEUTICALS 2004-12-23 US disclosed
WO-2004085463-A2 METHODS OF UNNATURAL AMINO ACID INCORPORATION IN PROTEINS IN MAMMALIAN CELLS NEURION PHARMACEUTICALS (US) 2004-10-07 WO disclosed
US-20040180401-A1 Methods of determining precise HERG interactions and designing compounds based on said interactions NEURION PHARMACEUTICALS, INC. (US) 2004-09-16 US disclosed
WO-2003100082-A2 METHODS OF DETERMINING PRECISE HERG INTERACTIONS AND ALTERING COMPOUNDS BASED ON SAID INTERACTIONS NEURION PHARMACEUTICALS, INC. (US) 2003-12-04 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 (7 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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B GPR84 125/4885TNF 4772/4885RIPK1 4494/4885
US-20060014159-A1 Methods of determining precise HERG interactions and designing compounds based on said interactions KCNN4, KCNC1, HCN4 GPR84 2994/4885TNF 4851/4885RIPK1 3766/4885
US-20240150313-A1 TRI-SUBSTITUTED INDOLE BINDING FUNCTION 3 (BF3) COMPOUNDS AND METHODS FOR THEIR USE KLK3, BRDT, HTR3A GPR84 1866/4885TNF 4829/4885RIPK1 2516/4885
US-20040180401-A1 Methods of determining precise HERG interactions and designing compounds based on said interactions KCNN4, KCNC1, HCN4 GPR84 2994/4885TNF 4851/4885RIPK1 3766/4885
US-11453676-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 GPR84 3228/4885TNF 3904/4885RIPK1 763/4885
US-12018033-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 GPR84 3335/4885TNF 4080/4885RIPK1 806/4885
US-20050009103-A1 Methods of precise molecular-level determination of ligand-receptor interactions and designing selective drug compounds based on said interactions FSHR, SRPRB, SRPRA GPR84 201/4885TNF 4151/4885RIPK1 1645/4885

“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.