Sugi Predict

Sugi Predict / Compounds / SCHEMBL21654814

SCHEMBL21654814

SCHEMBL21654814

Fc1ccc(/C=C/c2nnc(Cc3ccc(F)c(Br)c3)o2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 5/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 3/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PTK2 Q05397 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ METAP2 P50579 1/20 0.32

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
SCHEMBL21654668 0.93 NPC1 (0.36) NFE2L2NPC1HPGDSMN1; SMN2TP53
SCHEMBL21654813 0.91 NFE2L2 (0.40) NFE2L2NPC1HPGDSMN1; SMN2TP53
SCHEMBL21654800 0.90 NPC1 (0.39) NPC1HPGDSMN1; SMN2TP53RAB9A
SCHEMBL21654797 0.86 PTK2 (0.44) NFE2L2NPC1HPGDSMN1; SMN2TP53
SCHEMBL21654796 0.84 NPC1 (0.36) NFE2L2NPC1HPGDSMN1; SMN2TP53
SCHEMBL21628152 0.83 HPGD (0.35) NFE2L2NPC1HPGDSMN1; SMN2TP53
SCHEMBL21628153 0.83 HPGD (0.35) NFE2L2NPC1HPGDSMN1; SMN2TP53
SCHEMBL21654540 0.80 NPC1 (0.35) NPC1HPGDSMN1; SMN2TP53RAB9A
SCHEMBL21654791 0.80 NPC1 (0.35) NPC1HPGDSMN1; SMN2TP53RAB9A
SCHEMBL21654530 0.80 NPC1 (0.41) NPC1HPGDSMN1; SMN2TP53RAB9A

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 3081/4885NPC1 295/4885HPGD 4213/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 NFE2L2 3113/4885NPC1 221/4885HPGD 3730/4885

“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.