SCHEMBL25859052

SCHEMBL25859052

CCc1cc(N2CC[C@@]3(O)C(=O)c4cc(C)ccc4N=C23)ccc1CI

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
CYP3A4 P08684 2/20 0.67
MAPT P10636 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
KDM4E B2RXH2 1/20 0.67
ALOX15 P16050 1/20 0.67
CASP1 P29466 1/20 0.67
MYH9 P35579 1/20 0.67
MYH10 P35580 1/20 0.67
CASP7 P55210 1/20 0.67
HBB P68871 1/20 0.67
MYH2 Q9UKX2 1/20 0.42

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
SCHEMBL25859658 0.85 MEN1 (0.64) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL23235464 0.83 MEN1 (0.67) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL23235460 0.83 MEN1 (0.67) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL23235540 0.83 MEN1 (0.76) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL23235542 0.83 MEN1 (0.76) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL19200636 0.81 MEN1 (0.81) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL19183407 0.81 MEN1 (0.81) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL31218583 0.81 MEN1 (0.81) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL22512479 0.81 MEN1 (0.81) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL23235584 0.81 MEN1 (0.85) MEN1KMT2ACYP3A4MAPTCYP1A2

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-20230227452-A1 NONMUSCLE MYOSIN II INHIBITORS THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-07-20 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-20230227452-A1 NONMUSCLE MYOSIN II INHIBITORS MYH2, MYO3B, MYO1B MEN1 1652/4885KMT2A 3765/4885CYP3A4 1621/4885

“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.