SCHEMBL25453552

SCHEMBL25453552

CC(C)NCc1ccc(Cl)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PSEN1 P49768 9/20 0.38
PSEN2 P49810 9/20 0.38
APH1B Q8WW43 9/20 0.38
NCSTN Q92542 9/20 0.38
APH1A Q96BI3 9/20 0.38
PSENEN Q9NZ42 9/20 0.38
P2RX7 Q99572 1/20 0.38
F2 P00734 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL14438275 0.80 MEN1 (0.43) MEN1CYP3A4KMT2ACYP1A2CYP2D6
SCHEMBL2647752 0.80 MEN1 (0.57) MEN1CYP3A4KMT2ACYP1A2CYP2D6
SCHEMBL21346321 0.79 KCNH2 (0.41) MEN1CYP3A4KMT2ACYP1A2CYP2D6
SCHEMBL25454248 0.77 CYP1A2 (0.44) MEN1CYP3A4KMT2ACYP1A2CYP2D6
SCHEMBL19862553 0.77 CXCR3 (0.43) MEN1CYP3A4KMT2ACYP1A2CYP2D6
SCHEMBL29493203 0.77 IDO1 (0.50) MEN1CYP3A4KMT2ACYP1A2CYP2C9
SCHEMBL1154758 0.77 IDO1 (0.50) MEN1CYP3A4KMT2ACYP1A2CYP2C9
SCHEMBL16363482 0.76 BCHE (0.51) KMT2APOLBKDM4ELMNA
SCHEMBL21345583 0.75 LMNA (0.47) MEN1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL3127354 0.74 TYR (0.42) MEN1CYP3A4KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE MEN1 4309/4885CYP3A4 4671/4885KMT2A 2659/4885

“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.