SCHEMBL29454288

SCHEMBL29454288

N#Cc1c(F)ccc(NC(=O)Oc2ccccc2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 7/20 0.42
CYP1A2 P05177 3/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 3/20 0.40
RAD51 Q06609 1/20 0.40
GLA P06280 1/20 0.40
ATM Q13315 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
FAAH O00519 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
SCHEMBL29454267 0.79 NPC1 (0.52) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL7142190 0.79 NPC1 (0.52) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL22069015 0.79 NPC1 (0.52) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL28860755 0.78 NPC1 (0.56) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL1897287 0.77 NPC1 (0.69) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL22069331 0.77 NPC1 (0.50) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL17868187 0.76 NPC1 (0.44) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL29739678 0.75 NPC1 (0.48) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL10356846 0.75 RAB9A (0.81) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL8103369 0.74 GAA (0.58) NPC1RAB9ANPSR1ALDH1A1CYP1A2

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
US-20220323455-A1 FUSED HETEROCYCLIC DERIVATIVES AS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-10-13 US disclosed
US-20220235051-A1 DI-FLUORO AZEPANES AS HBV CAPSID ASSEMBLY MODULATORS JANSSEN SCIENCES IRELAND UNLMITED COMPANY (IE) 2022-07-28 US disclosed
EP-3976616-A1 FUSED HETEROCYCLIC DERIVATIVES AS ANTIVIRAL AGENTS Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 EP disclosed
EP-3976614-A1 DI-FLUORO AZEPANES AS HBV CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 EP 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-20220235051-A1 DI-FLUORO AZEPANES AS HBV CAPSID ASSEMBLY MODULATORS CALM1, HAVCR2, ZC3HAV1 NPC1 950/4885RAB9A 2021/4885NPSR1 4045/4885
US-20220323455-A1 FUSED HETEROCYCLIC DERIVATIVES AS ANTIVIRAL AGENTS HAVCR2, MAVS, ZC3HAV1 NPC1 414/4885RAB9A 487/4885NPSR1 4535/4885

“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.