Sugi Predict

Sugi Predict / Compounds / SCHEMBL21654820

SCHEMBL21654820

SCHEMBL21654820

Fc1ccc(CCc2nnc(Cc3ccsc3)o2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.39
▸ CLPP Q16740 1/20 0.38
▸ QPCT Q16769 1/20 0.38
▸ RAB9A P51151 6/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL21654818 0.78 PTK2 (0.45) NPC1CLPPRAB9AL3MBTL1MAPT
SCHEMBL21654685 0.76 NPC1 (0.39) NPC1CLPPQPCTRAB9ASMN1; SMN2
SCHEMBL836117 0.72 CLPP (0.43) NPC1CLPPQPCTRAB9ASMN1; SMN2
SCHEMBL13401661 0.69 TAAR1 (0.36) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL1069756 0.68 MAPT (0.42) NPC1CLPPQPCTRAB9ASMN1; SMN2
SCHEMBL16487847 0.64 RAB9A (0.50) NPC1RAB9ASMN1; SMN2HSD17B10HPGD
SCHEMBL837511 0.63 QPCT (0.42) NPC1CLPPQPCTSMN1; SMN2CYP1A2
SCHEMBL21654624 0.62 APLNR (0.39) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL18263307 0.61 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL8304372 0.61 PTGS1 (0.45) RAB9ASMN1; SMN2SIRT5HPGDTP53

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 NPC1 295/4885CLPP 4192/4885QPCT 4586/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 NPC1 221/4885CLPP 4198/4885QPCT 4457/4885

“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.