SCHEMBL21654810

SCHEMBL21654810

Fc1ccc(/C=C/c2nnc(Cc3ccc(Br)nc3)o2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
CLPP Q16740 1/20 0.32
GRM2 Q14416 2/20 0.32
PTK2 Q05397 1/20 0.32
THRB P10828 1/20 0.31
HPGD P15428 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL23922050 1.00 NPC1 (0.36) NPC1RAB9AHTR2AHTR2CKCNH2
SCHEMBL21654589 0.90 NPC1 (0.37) NPC1RAB9AHTR2AHTR2CKCNH2
SCHEMBL21654763 0.88 NPC1 (0.41) NPC1RAB9AHTR2AHTR2CKCNH2
SCHEMBL21654800 0.86 NPC1 (0.39) NPC1RAB9AHTR2AHTR2CKCNH2
SCHEMBL21654805 0.85 NPC1 (0.36) NPC1RAB9AHTR2AHTR2CKCNH2
SCHEMBL21654796 0.85 NPC1 (0.36) NPC1RAB9AHTR2AHTR2CKCNH2
SCHEMBL21654801 0.84 NPC1 (0.39) NPC1RAB9AHTR2AHTR2CKCNH2
SCHEMBL21654799 0.84 NPC1 (0.33) NPC1RAB9AHTR2AHTR2CKCNH2
SCHEMBL21654822 0.83 NPC1 (0.37) NPC1RAB9AHTR2AHTR2CKCNH2
SCHEMBL21654530 0.83 NPC1 (0.41) NPC1RAB9AHTR2AHTR2CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient INSTITUT PASTEUR KOREA (KR) 2021-10-19 US claimed
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient INSTITUT PASTEUR KOREA (KR) 2021-10-19 US disclosed
US-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ST PHARM CO., LTD. (KR) 2020-01-30 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-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ZC3HAV1, ZC3HAV1L, HAVCR2 NPC1 295/4885RAB9A 236/4885HTR2A 3185/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 NPC1 221/4885RAB9A 346/4885HTR2A 2894/4885

“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.