SCHEMBL6663333

SCHEMBL6663333

CCS(=O)(=O)Nc1ccc(F)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.50
MRGPRX1 Q96LB2 7/20 0.47
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 3/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
PTGES2 Q9H7Z7 2/20 0.41
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
PGR P06401 1/20 0.39

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
SCHEMBL6663236 0.82 ALDH1A1 (0.44) CA2CA1PTGES2THRB
SCHEMBL19303542 0.81 PSIP1 (0.51) PSIP1MRGPRX1LMNAHPGDHSD17B10
SCHEMBL28021196 0.79 PSIP1 (0.62) PSIP1MRGPRX1LMNAHPGDHSD17B10
SCHEMBL30566205 0.76 PSIP1 (0.59) PSIP1LMNAHPGDHSD17B10KMT2A
SCHEMBL6658979 0.76 CA2 (0.67) CA2CA1
SCHEMBL6221236 0.76 PSIP1 (0.59) PSIP1LMNAHPGDHSD17B10KMT2A
SCHEMBL3631632 0.74 KMT2A (0.40) HPGDKMT2ATHRBMEN1
SCHEMBL1290833 0.74 PSIP1 (0.61) PSIP1LMNAHPGDHSD17B10PTGES2
SCHEMBL31047810 0.74 PSIP1 (0.51) PSIP1MRGPRX1LMNAHPGDHSD17B10
SCHEMBL6662068 0.73 PSIP1 (0.47) PSIP1MRGPRX1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244615-B1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2004-08-11 EP disclosed
US-20030017948-A1 Method for producing n-substituted 2,4-diamino-5-fluoro benzonitriles and novel intermediates BAYER AKTIENGESELLSCHAFT (DE) 2003-01-23 US disclosed
EP-1244615-A1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES Bayer Aktiengesellschaft (DE) 2002-10-02 EP disclosed
WO-2001047873-A1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 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 (1 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-20030017948-A1 Method for producing n-substituted 2,4-diamino-5-fluoro benzonitriles and novel intermediates DDT, PFAS, DAO PSIP1 1439/4885MRGPRX1 4229/4885LMNA 2532/4885

“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.