Sugi Predict

Sugi Predict / Compounds / SCHEMBL21654801

SCHEMBL21654801

SCHEMBL21654801

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ PTK2 Q05397 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ NR1I3 Q14994 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ CLPP Q16740 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL21654530 0.92 NPC1 (0.41) NPC1PTK2POLBHPGDSMN1; SMN2
SCHEMBL21654689 0.90 NPC1 (0.37) NPC1PTK2POLBHPGDSMN1; SMN2
SCHEMBL21654541 0.88 PTK2 (0.48) NPC1PTK2TSHRPOLBHPGD
SCHEMBL21654800 0.87 NPC1 (0.39) NPC1PTK2TSHRMAPK1POLB
SCHEMBL21654763 0.87 NPC1 (0.41) NPC1PTK2TSHRMAPK1POLB
SCHEMBL21654528 0.87 EGFR (0.42) NPC1PTK2TSHRPOLBHPGD
SCHEMBL21654505 0.86 PTK2 (0.38) NPC1PTK2POLBHPGDSMN1; SMN2
SCHEMBL21654796 0.86 NPC1 (0.36) NPC1PTK2TSHRMAPK1POLB
SCHEMBL21654795 0.86 PTK2 (0.47) NPC1PTK2POLBSMN1; SMN2THRB
SCHEMBL21654805 0.85 NPC1 (0.36) NPC1PTK2TSHRPOLBHPGD

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 295/4885PTK2 4377/4885TSHR 3439/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 NPC1 221/4885PTK2 4380/4885TSHR 3622/4885

“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.