SCHEMBL19871672

SCHEMBL19871672

COc1cc(Cl)cc(C(F)(F)F)c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.38
▸ HTR2C P28335 4/20 0.38
▸ GAA P10253 2/20 0.34
▸ HTR2B P41595 3/20 0.33
▸ AR P10275 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1E P28566 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ MAP3K14 Q99558 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
SCHEMBL13913535 0.81 ERN1 (0.41) GAAERN1ALDH1A1MAPTMAP3K14
SCHEMBL22035259 0.81 HTR2A (0.39) HTR2AHTR2CHTR2BARAKR1C3
SCHEMBL13747962 0.77 GAA (0.39) GAAERN1ALDH1A1MAPT
SCHEMBL21586427 0.77 ALDH1A1 (0.39) HTR2AHTR2CGAAHTR2BAR
SCHEMBL19871661 0.77 RAPGEF4 (0.33) MAPT
SCHEMBL18007684 0.75 HTR2A (0.40) HTR2AHTR2CGAAARERN1
SCHEMBL19869248 0.74 MAP3K14 (0.41) HTR2AHTR2CGAAHTR2BERN1
SCHEMBL24986389 0.74 PDE2A (0.41) GAAAKR1C3AKR1C2ALDH1A1LMNA
SCHEMBL19871663 0.72 HTR2A (0.38) HTR2AHTR2CGAAARERN1
SCHEMBL19509135 0.71 KDM4E (0.43) ARAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845715-B2 — — 2023-12-19 — — US disclosed
US-11130731-B2 Sulfonylureas and related compounds and use of same THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2021-09-28 — — US disclosed
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME INFLAZOME LIMITED (IE) 2018-02-15 — — 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-11845715-B2 — NLRP3, PYCARD, NOD1 HTR2A 4264/4885HTR2C 4400/4885GAA 1190/4885
US-11130731-B2 Sulfonylureas and related compounds and use of same NLRP3, PYCARD, IAPP HTR2A 4114/4885HTR2C 4379/4885GAA 706/4885
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP HTR2A 4114/4885HTR2C 4379/4885GAA 706/4885

“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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