SCHEMBL26080843

SCHEMBL26080843

Cc1cc(C#N)cc(F)c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.37
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKR1B1 P15121 1/20 0.31
GRM5 P41594 1/20 0.30
EPAS1 Q99814 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL12263154 0.88 TTR (0.37) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL13681500 0.86 TTR (0.38) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL807520 0.81 TRPV4 (0.34) TTRALBGAASMN1; SMN2FFAR1
SCHEMBL807272 0.81 MET (0.36) TTRALBALDH1A1GAASMN1; SMN2
SCHEMBL18612531 0.79 TRPV4 (0.31) EGLN2TTRALBGAASMN1; SMN2
SCHEMBL18552870 0.78 AR (0.39) TTRALBALDH1A1CYP2A6AKR1B1
SCHEMBL24418587 0.77 TTR (0.32) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL27284508 0.77 ALB (0.41) TTRALBALDH1A1CYP2A6AKR1B1
SCHEMBL24418462 0.77 AR (0.36) ALDH1A1
SCHEMBL26360496 0.76 TTR (0.34) EGLN2TTRALBGAASMN1; SMN2

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-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BROADENBIO CO., LTD. (CN) 2023-10-12 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
EP-4223759-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Broadenbio Co., Ltd. (CN) 2023-08-09 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 (2 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 EGLN2 682/4885TTR 651/4885ALB 4545/4885
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF PDXK, CMPK1, GCK EGLN2 762/4885TTR 3858/4885ALB 3667/4885

“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.