SCHEMBL25875907

SCHEMBL25875907

O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3cccc(Cl)c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 6/20 0.57
KMT2A Q03164 3/20 0.57
HIF1A Q16665 6/20 0.52
EPAS1 Q99814 6/20 0.52
TP53 P04637 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 3/20 0.49
MEN1 O00255 2/20 0.49
CYP2C9 P11712 2/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL25875908 0.89 NPC1 (0.69) NPC1RAB9AKMT2AHIF1AEPAS1
SCHEMBL21845746 0.89 IKBKB (0.56) NPC1RAB9AKMT2AHIF1AEPAS1
SCHEMBL21845769 0.82 JAK2 (0.60) NPC1RAB9AKMT2AHIF1AEPAS1
SCHEMBL13683480 0.77 NPC1 (0.59) NPC1RAB9AKMT2AHIF1AEPAS1
SCHEMBL25875960 0.76 ROCK2 (0.69)
SCHEMBL25875932 0.76 ROCK2 (0.62)
SCHEMBL25875943 0.75 ROCK2 (0.55) KMT2AALDH1A1LMNAMEN1
SCHEMBL25875892 0.75 CYP1A2 (0.64) ALDH1A1CYP1A2CYP2D6
SCHEMBL25875931 0.74 JAK2 (0.49)
SCHEMBL25876014 0.74 KDM1A (0.55) NPC1RAB9ASMN1; 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-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 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-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, CHUK, MAP3K2 NPC1 3861/4885RAB9A 992/4885KMT2A 2034/4885

“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.