SCHEMBL13539265

SCHEMBL13539265

O=C(CO)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
MAPT P10636 2/20 0.43
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPY5R Q15761 2/20 0.42
HPGDS O60760 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
TP53 P04637 1/20 0.40
TNIK Q9UKE5 1/20 0.40

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
SCHEMBL13539264 0.84 SMN1; SMN2 (0.50) RAB9APOLBNPC1ALDH1A1SMN1; SMN2
SCHEMBL69492 0.82 MEN1 (0.58) RAB9APOLBNPC1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1221862 0.81 MEN1 (0.57) RAB9APOLBNPC1ALDH1A1SMN1; SMN2
SCHEMBL5935124 0.79 RAB9A (0.52) RAB9APOLBNPC1ALDH1A1SMN1; SMN2
SCHEMBL12882360 0.79 RAB9A (0.52) RAB9APOLBNPC1ALDH1A1SMN1; SMN2
SCHEMBL12906820 0.79 RAB9A (0.52) RAB9APOLBNPC1ALDH1A1SMN1; SMN2
SCHEMBL24198729 0.75 RET (0.48) RAB9APOLBNPC1ALDH1A1SMN1; SMN2
SCHEMBL1221564 0.75 MEN1 (0.61) RAB9APOLBNPC1ALDH1A1SMN1; SMN2
SCHEMBL25415567 0.75 RET (0.56) RAB9APOLBNPC1ALDH1A1SMN1; SMN2
SCHEMBL1082911 0.75 RAB9A (0.47) RAB9APOLBNPC1ALDH1A1SMN1; 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-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 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-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 RAB9A 1635/4885POLB 1508/4885NPC1 1539/4885

“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.