SCHEMBL19768752

SCHEMBL19768752

O=C1CCCc2[nH]nc(I)c21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
DHODH Q02127 1/20 0.42
HCAR2 Q8TDS4 2/20 0.35
PTK2 Q05397 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
DYRK1A Q13627 1/20 0.33
BUB1 O43683 3/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL21612312 0.76 TSHR (0.43) TSHRDHODHHCAR2PTK2L3MBTL1
SCHEMBL2575246 0.76 TSHR (0.52) TSHRDHODHHCAR2PTK2L3MBTL1
SCHEMBL23774992 0.76 TSHR (0.43) TSHRDHODHHCAR2PTK2L3MBTL1
SCHEMBL24835450 0.72 HSD17B10 (0.57) TSHRDHODHHCAR2PTK2L3MBTL1
SCHEMBL382806 0.72 DHODH (0.52) TSHRDHODHHCAR2PTK2L3MBTL1
SCHEMBL18237889 0.72 TSHR (0.43) TSHRDHODHHCAR2PTK2L3MBTL1
SCHEMBL24852178 0.71 CDC7 (0.40) DYRK1ABUB1
SCHEMBL17324737 0.71 HCAR2 (0.46) TSHRDHODHHCAR2PTK2L3MBTL1
SCHEMBL14737141 0.70
SCHEMBL30687116 0.68 DHODH (0.49) TSHRDHODHHCAR2PTK2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326749-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS INC (US) 2025-10-23 US disclosed
EP-4536655-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF Sionna Therapeutics Inc. (US) 2025-04-16 EP disclosed
CN-119677730-A Compounds, compositions, and methods of use thereof 希安纳医疗公司 2025-03-21 CN disclosed
WO-2023240267-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2023-12-14 WO disclosed
WO-2023240267-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2023-12-14 WO disclosed
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-18 US disclosed
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-18 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 (3 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-20250326749-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, SLC26A4, PKD2 TSHR 4366/4885DHODH 949/4885HCAR2 2357/4885
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC TSHR 691/4885DHODH 1634/4885HCAR2 1662/4885
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof RORB, RORA, RORC TSHR 691/4885DHODH 1634/4885HCAR2 1662/4885

“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.