SCHEMBL22003181

SCHEMBL22003181

Cc1c(F)cc(C#N)cc1I

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.54
ALB P02768 2/20 0.54
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
EGLN2 Q96KS0 3/20 0.33
GRM5 P41594 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
KIF11 P52732 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
SCHEMBL410438 0.84 TTR (0.41) TTRALBALDH1A1CYP2A6EGLN2
SCHEMBL23099521 0.78 TTR (0.52) TTRALBEGLN2MEN1KMT2A
SCHEMBL27254466 0.78 TTR (0.58) TTRALBALDH1A1CYP2A6EGLN2
SCHEMBL8036320 0.78 EGLN2 (0.40) TTRALBALDH1A1CYP2A6EGLN2
SCHEMBL11981507 0.77 TRPV4 (0.38) TTRALBALDH1A1CYP2A6EGLN2
SCHEMBL1312296 0.75 TTR (0.72) TTRALBEGLN2MEN1KMT2A
SCHEMBL13641418 0.75 EGLN2 (0.36) TTRALBALDH1A1CYP2A6EGLN2
SCHEMBL1997670 0.75 TTR (0.48) TTRALBEGLN2MEN1KMT2A
SCHEMBL10120483 0.75 KCNJ6 (0.40) TTRALBALDH1A1CYP2A6EGLN2
SCHEMBL15321453 0.75 TTR (0.43) TTRALBALDH1A1CYP2A6EGLN2

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-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RETUNE PHARMA, INC. 2025-10-09 US disclosed
EP-4514799-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MRJA Therapeutics, Inc. (US) 2025-03-05 EP disclosed
CN-119384421-A Certain chemical entities, compositions and methods 沐尔佳治疗公司 2025-01-28 CN disclosed
WO-2023212612-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN SHAWN (US) 2023-11-02 WO disclosed
WO-2023212612-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN SHAWN (US) 2023-11-02 WO disclosed
EP-3174115-B1 CHARGE TRANSPORT MATERIAL NISSAN CHEMICAL CORP (JP) 2020-05-20 EP 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 (1 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-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIT, PRKCH, PRKCB TTR 4850/4885ALB 4672/4885ALDH1A1 1540/4885

“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.