SCHEMBL21681228

SCHEMBL21681228

CCC(=O)Nc1c(F)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ DHODH Q02127 1/20 0.53
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ABCB11 O95342 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ NR1I3 Q14994 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44

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
SCHEMBL7704551 0.88 MAPT (0.56) TSHRPOLBKDM4ERAB9AMAPT
SCHEMBL14266385 0.88 KMT2A (0.53) TSHRPOLBLMNANPC1RAB9A
SCHEMBL25340861 0.83 MEN1 (0.51) TSHRPOLBKDM4ELMNARAB9A
SCHEMBL14416597 0.81 TSHR (0.61) TSHRLMNAMAPTL3MBTL1GAA
SCHEMBL5022147 0.81 GAA (0.50) DHODHPOLBLMNAMAPTGAA
SCHEMBL20560160 0.79 GAA (0.51) GAAALDH1A1ABCB11PTGS1PTGS2
SCHEMBL8773868 0.79 ALB (0.47) TSHRPOLBKDM4ENPC1RAB9A
SCHEMBL14416594 0.79 TSHR (0.46) TSHRPOLBKDM4ENPC1RAB9A
SCHEMBL11436764 0.78 KMT2A (0.53) KDM4ELMNAGAAALDH1A1ABCB11
SCHEMBL12637722 0.78 ADORA3 (0.43) TSHRPOLBNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866426-B2 Benzothiazole compounds and uses thereof INCYTE CORPORATION (US) 2024-01-09 — — US disclosed
US-20210171518-A1 BENZOTHIAZOLE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2021-06-10 — — US disclosed
US-20210171518-A1 BENZOTHIAZOLE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2021-06-10 — — US disclosed
US-10899755-B2 Benzothiazole compounds and uses thereof INCYTE CORPORATION (US) 2021-01-26 — — US disclosed
US-20200048241-A1 BENZOTHIAZOLE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-02-13 — — US disclosed
US-20200048241-A1 BENZOTHIAZOLE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-02-13 — — 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 (4 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-10899755-B2 Benzothiazole compounds and uses thereof PDXK, PCK1, HIPK1 TSHR 4802/4885DHODH 1430/4885POLB 2080/4885
US-20210171518-A1 BENZOTHIAZOLE COMPOUNDS AND USES THEREOF PDXK, PCK1, HIPK1 TSHR 4802/4885DHODH 1430/4885POLB 2080/4885
US-20200048241-A1 BENZOTHIAZOLE COMPOUNDS AND USES THEREOF PDXK, PCK1, HIPK1 TSHR 4802/4885DHODH 1430/4885POLB 2080/4885
US-11866426-B2 Benzothiazole compounds and uses thereof PDXK, PCK1, HIPK1 TSHR 4802/4885DHODH 1430/4885POLB 2080/4885

“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.

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