SCHEMBL25454018

SCHEMBL25454018

CC(C)c1ccc(OCCCCN)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 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
SCHEMBL25454020 0.98 CARM1 (0.51) CARM1KDM4ENPC1RAB9AKMT2A
SCHEMBL25454019 0.98 CARM1 (0.51) CARM1KDM4ENPC1RAB9AKMT2A
SCHEMBL25454017 0.95 CARM1 (0.54) CARM1KDM4ENPC1RAB9AKMT2A
SCHEMBL25453143 0.86 THRB (0.47) CARM1KDM4EL3MBTL1HTR1B
SCHEMBL25453142 0.85 KDM4E (0.47) CARM1KDM4ENPC1RAB9AKMT2A
SCHEMBL25453145 0.84 THRB (0.49) CARM1KDM4EHTR1B
SCHEMBL25453144 0.84 THRB (0.49) CARM1KDM4EHTR1B
SCHEMBL25453148 0.82 L3MBTL1 (0.59) CARM1KDM4ELMNAGAAL3MBTL1
SCHEMBL16997127 0.81 TDP1 (0.50) CARM1KDM4EKMT2ALMNAGAA
SCHEMBL25963153 0.81 KDM4E (0.41) CARM1KDM4EKMT2ALMNAGAA

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-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 CARM1 3345/4885KDM4E 4478/4885NPC1 2273/4885

“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.

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