SCHEMBL9107040

SCHEMBL9107040

N#Cc1cc(F)c(NC2CCCCC2NC(=O)O)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.41
FER P16591 6/20 0.39
ACHE P22303 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 3/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 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
SCHEMBL14911459 1.00 KHK (0.41) KHKFERACHESMN1; SMN2BCHE
SCHEMBL2713345 1.00 KHK (0.41) KHKFERACHESMN1; SMN2BCHE
SCHEMBL3624947 0.85 ACHE (0.46) KHKACHE
SCHEMBL3624945 0.85 ACHE (0.46) KHKACHE
SCHEMBL29707774 0.84 JAK3 (0.41) KHKFERTAS1R3TAS1R1TAS1R2
SCHEMBL14908782 0.84 JAK3 (0.41) KHKFERTAS1R3TAS1R1TAS1R2
SCHEMBL14908783 0.84 JAK3 (0.41) KHKFERTAS1R3TAS1R1TAS1R2
SCHEMBL10250349 0.84 JAK3 (0.41) KHKFERTAS1R3TAS1R1TAS1R2
SCHEMBL29707773 0.84 JAK3 (0.41) KHKFERTAS1R3TAS1R1TAS1R2
SCHEMBL16164837 0.82 FPR1 (0.38) KHKACHEBCHE

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
EP-3176154-B1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARM INC (US) 2019-02-20 EP disclosed
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8846928-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 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 (4 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK KHK 2008/4885FER 919/4885ACHE 4592/4885
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK KHK 405/4885FER 77/4885ACHE 2147/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK KHK 405/4885FER 77/4885ACHE 2147/4885
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK KHK 405/4885FER 77/4885ACHE 2147/4885

“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.