SCHEMBL25702011

SCHEMBL25702011

CSNC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GRIN2B Q13224 8/20 0.55
NPSR1 Q6W5P4 1/20 0.54
CYP2D6 P10635 4/20 0.54
CYP2C9 P11712 4/20 0.54
CYP3A4 P08684 3/20 0.51
F13A1 P00488 1/20 0.51
TGM2 P21980 1/20 0.51
TGM1 P22735 1/20 0.51
ENPP2 Q13822 2/20 0.50

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
SCHEMBL20040068 0.93 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1780742 0.85 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT
Hydrochloric Acid SCHEMBL3320885 0.84 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3086491 0.84 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL18632803 0.84 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6964208 0.83 KMT2A (0.65) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL296939 0.83 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6972358 0.83 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL26510676 0.83 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL696467 0.83 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 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-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 SMN1; SMN2 2003/4885NPC1 1354/4885RAB9A 1719/4885

“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.