SCHEMBL25856004

SCHEMBL25856004

CCSc1nnc(-c2ccc(C)cc2)o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.72
NPC1 O15118 8/20 0.72
RAB9A P51151 8/20 0.72
TSHR P16473 3/20 0.72
CYP1A2 P05177 1/20 0.71
CYP2C19 P33261 1/20 0.71
TP53 P04637 7/20 0.69
ALDH1A1 P00352 3/20 0.69
POLB P06746 3/20 0.68
TDP1 Q9NUW8 2/20 0.62
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
LMNA P02545 1/20 0.59
PLA2G1B P04054 1/20 0.59
MAPK1 P28482 1/20 0.59
CASP3 P42574 1/20 0.59
HTT P42858 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59

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
SCHEMBL9063892 0.85 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ATSHRCYP1A2
SCHEMBL31165739 0.85 CYP1A2 (0.69) SMN1; SMN2NPC1RAB9ATSHRCYP1A2
SCHEMBL8348993 0.84 CYP1A2 (0.73) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19
SCHEMBL20221777 0.80 HPGD (0.70) SMN1; SMN2NPC1RAB9ATSHRTP53
SCHEMBL11887778 0.80 NPSR1 (0.76) SMN1; SMN2NPC1RAB9ATSHRTP53
SCHEMBL16157136 0.80 MAPT (0.70) SMN1; SMN2NPC1RAB9ATSHRTP53
SCHEMBL16157045 0.80 POLB (1.00) SMN1; SMN2NPC1RAB9ATSHRCYP1A2
SCHEMBL17068761 0.77 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ATSHRTP53
SCHEMBL17068795 0.77 MAPT (0.73) SMN1; SMN2NPC1RAB9ATSHRTP53
SCHEMBL120253 0.77 NPC1 (0.83) SMN1; SMN2NPC1RAB9ATSHRCYP1A2

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-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. 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-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS CPT1B, MUSK, MYLK2 SMN1; SMN2 155/4885NPC1 561/4885RAB9A 1179/4885

“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.