SCHEMBL22979643

SCHEMBL22979643

N#Cc1ccc(F)cc1NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 3/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FABP5 Q01469 2/20 0.39
MAOB P27338 1/20 0.39
FABP7 O15540 1/20 0.39
FABP3 P05413 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL16794913 0.86 MAOB (0.48) POLBKDM4EGAALMNAFFAR1
SCHEMBL2527810 0.85 ALDH1A1 (0.48) POLBKDM4EGAALMNAALDH1A1
SCHEMBL404741 0.82 POLB (0.44) POLBKDM4EGAALMNAFFAR1
SCHEMBL22979249 0.81 GAA (0.51) KDM4EGAALMNAFFAR1FABP5
SCHEMBL6946072 0.81 NLRP3 (0.55) POLBGAAALDH1A1HPGDKCNQ3
SCHEMBL29075935 0.77 TRPA1 (0.48) POLBCYP2C19AR
SCHEMBL15577575 0.76 SMN1; SMN2 (0.57) POLBLMNAALDH1A1HTTMEN1
SCHEMBL22979033 0.76 NPC1 (0.47) KDM4EGAAALDH1A1HPGDMEN1
SCHEMBL12843992 0.74 LRRK2 (0.41) POLBKDM4EGAALMNAMAOB
SCHEMBL15031211 0.74 KCNMA1 (0.66) KDM4ELMNAALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 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 (2 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-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 POLB 2906/4885KDM4E 3826/4885GAA 3984/4885
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 POLB 4033/4885KDM4E 1364/4885GAA 3740/4885

“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.