SCHEMBL26200750

SCHEMBL26200750

COCCCNC(=O)C(C)(I)I

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 3/20 0.50
RECQL P46063 1/20 0.47
GAA P10253 2/20 0.46
EPHX2 P34913 2/20 0.42
POLB P06746 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL10092236 0.92 TSHR (0.57) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL18997736 0.86 TSHR (0.50) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL2697702 0.79 ALDH1A1 (0.42) TSHRALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL13630894 0.78 TSHR (0.50) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL13630898 0.78 TSHR (0.50) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL4881440 0.78 TSHR (0.50) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL13630904 0.78 TSHR (0.46) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL13630895 0.76 TSHR (0.52) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL11382562 0.74 TSHR (0.65) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL16521081 0.74 POLB (0.46) TSHRALDH1A1GAAPOLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 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 (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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 TSHR 2042/4885ALDH1A1 3813/4885RECQL 1532/4885

“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.