SCHEMBL3753905

SCHEMBL3753905

CSc1ccc(C#N)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
MAOA P21397 5/20 0.46
MAOB P27338 5/20 0.46
DAO P14920 1/20 0.44
AR P10275 7/20 0.44
CYP11B2 P19099 3/20 0.40
CYP11B1 P15538 1/20 0.40
IDO1 P14902 1/20 0.39
PGK1 P00558 1/20 0.38

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
SCHEMBL4875399 0.84 MAOA (0.46) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL20756137 0.82 TRPV4 (0.53) TRPV4MAOAMAOBDAOAR
SCHEMBL12126140 0.81 MAOB (0.57) MAOAMAOBARCYP11B2CYP11B1
SCHEMBL12812545 0.80 TRPV4 (0.52) TRPV4MAOAMAOBDAOAR
SCHEMBL8109706 0.80 PGK1 (0.37) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL1017994 0.79 DAO (0.51) TRPV4MAOAMAOBDAOAR
SCHEMBL1020454 0.79 AR (0.61) TRPV4MAOAMAOBDAOAR
SCHEMBL8100206 0.78 HSD17B10 (0.33) MAOAMAOBCYP11B2CYP11B1
SCHEMBL4178134 0.78 AR (0.65) AR
SCHEMBL1020460 0.78 TSHR (0.45) MAOAMAOBARCYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054953-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 US disclosed
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 US disclosed
CN-115776891-A STAT degradants and uses thereof 凯麦拉医疗公司 2023-03-10 CN disclosed
EP-4121055-A1 STAT DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-01-25 EP disclosed
WO-2021188696-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
WO-2021188696-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 TRPV4 535/4885MAOA 1044/4885MAOB 680/4885
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF STAT4, STAT1, STAT3 TRPV4 4524/4885MAOA 1452/4885MAOB 1635/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TRPV4 541/4885MAOA 1936/4885MAOB 1152/4885

“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.