SCHEMBL30920002

SCHEMBL30920002

O=C(O)CCNc1nc2ccccc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 7/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CSNK1D P48730 4/20 0.56
HPGD P15428 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
MAPK1 P28482 2/20 0.56
ADORA1 P30542 1/20 0.55
DYRK1A Q13627 1/20 0.55
MAPT P10636 4/20 0.55
GAA P10253 2/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 2/20 0.55

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
SCHEMBL17234165 1.00 POLB (0.68) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4458535 0.91 POLB (0.64) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1822190 0.87 NPC1 (0.58) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6640386 0.84 POLB (0.62) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1981971 0.84 NPC1 (0.62) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2791120 0.83 RAB9A (0.74) POLBNPC1RAB9ASMN1; SMN2MEN1
Succinic Acid SCHEMBL28231097 0.82 POLB (0.72) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9963506 0.81 HDAC6 (0.55) POLBNPC1RAB9AKMT2AMAPT
SCHEMBL11207220 0.81 NPC1 (0.67) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL25056995 0.79 ADORA1 (0.64) POLBNPC1RAB9ASMN1; SMN2MEN1

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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 POLB 262/4885NPC1 1141/4885RAB9A 185/4885

“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.