SCHEMBL21654813

SCHEMBL21654813

Cc1ccc(Cc2nnc(/C=C/c3ccc(F)cc3F)o2)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 3/20 0.35
PTK2 Q05397 1/20 0.34
TP53 P04637 2/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
RAB9A P51151 2/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.32
NPC1 O15118 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 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
SCHEMBL21628153 0.92 HPGD (0.35) NFE2L2HPGDSMN1; SMN2POLBPTK2
SCHEMBL21628152 0.92 HPGD (0.35) NFE2L2HPGDSMN1; SMN2POLBPTK2
SCHEMBL21654814 0.91 NFE2L2 (0.38) NFE2L2PTGS1PTGS2HPGDSMN1; SMN2
SCHEMBL21654791 0.89 NPC1 (0.35) HPGDSMN1; SMN2POLBPTK2TP53
SCHEMBL21654668 0.84 NPC1 (0.36) NFE2L2HPGDSMN1; SMN2POLBPTK2
SCHEMBL21654797 0.82 PTK2 (0.44) NFE2L2HPGDSMN1; SMN2POLBPTK2
SCHEMBL21654800 0.81 NPC1 (0.39) HPGDSMN1; SMN2POLBPTK2TP53
SCHEMBL21654640 0.81 NPC1 (0.35) HPGDSMN1; SMN2POLBPTK2TP53
SCHEMBL21654796 0.80 NPC1 (0.36) NFE2L2HPGDSMN1; SMN2POLBPTK2
SCHEMBL21654689 0.79 NPC1 (0.37) HPGDSMN1; SMN2POLBPTK2TP53

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 2 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 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 NFE2L2 3081/4885PTGS1 4538/4885PTGS2 4434/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 NFE2L2 3113/4885PTGS1 4371/4885PTGS2 4218/4885

“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.