SCHEMBL4900667

SCHEMBL4900667

N#Cc1cc(NC(=O)O)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.59
BLM P54132 1/20 0.50
WRN Q14191 1/20 0.50
ALDH1A1 P00352 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
KCNH2 Q12809 1/20 0.43
AR P10275 1/20 0.43
LRRK2 Q5S007 1/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
AKT1 P31749 1/20 0.42
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 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
SCHEMBL16722564 0.86 KCNQ3 (0.49) GRM4ALDH1A1LRRK2NPC1RAB9A
SCHEMBL3554749 0.85 ALDH1A1 (0.63) GRM4BLMWRNALDH1A1NPC1
SCHEMBL25003490 0.84 GRM4 (0.61) GRM4BLMWRNALDH1A1NPC1
SCHEMBL2714906 0.83 GRM4 (0.43) GRM4BLMWRNNPC1RAB9A
SCHEMBL12777490 0.82 GRM4 (0.56) GRM4BLMWRNALDH1A1AR
SCHEMBL3008351 0.82 GRM4 (0.56) GRM4BLMWRNALDH1A1KCNH2
SCHEMBL29824380 0.82 GRM4 (0.56) GRM4BLMWRNALDH1A1KCNH2
SCHEMBL7930452 0.81 GRM4 (0.54) GRM4BLMWRNKCNH2AR
SCHEMBL4219043 0.81 GRM4 (0.54) GRM4BLMWRNALDH1A1KCNH2
SCHEMBL31703118 0.81 GRM4 (0.58) GRM4BLMWRNALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115087486-A Substituted bicyclic and tricyclic ureas and amides, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2022-09-20 CN disclosed
US-20220153754-A1 FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2022-05-19 US disclosed
EP-3976619-A1 FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 EP disclosed
CN-113939511-A Difluoroazepane as HBV capsid assembly modulators 爱尔兰詹森科学公司 2022-01-14 CN disclosed
CN-113906031-A Fused heterocyclic derivatives as capsid assembly modulators 爱尔兰詹森科学公司 2022-01-07 CN disclosed
CN-113906028-A Fused heterocyclic derivatives 爱尔兰詹森科学公司 2022-01-07 CN disclosed
CN-113891889-A Diazepinone derivatives as capsid assembly modulators 爱尔兰詹森科学公司 2022-01-04 CN disclosed
CN-109641896-B Diazepinone derivatives and their use in the treatment of hepatitis b infections 诺维拉治疗公司 2021-09-21 CN disclosed
WO-2020243135-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed
WO-2020239864-A1 FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 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 (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-20220153754-A1 FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS ZC3HAV1, CALM1, ZC3HAV1L GRM4 2544/4885BLM 2518/4885WRN 3063/4885
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA GRM4 1217/4885BLM 4163/4885WRN 4855/4885

“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.