SCHEMBL4458535

SCHEMBL4458535

O=C(O)CCCNc1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
ILK Q13418 1/20 0.60
SMN1; SMN2 Q16637 6/20 0.59
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CSNK1D P48730 3/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
QPCT Q16769 1/20 0.53
ADORA1 P30542 1/20 0.52
DYRK1A Q13627 1/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 2/20 0.52

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 0.91 POLB (0.68) POLBNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL30920002 0.91 POLB (0.68) POLBNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL2790542 0.84 RAB9A (0.75) POLBNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL6640386 0.82 POLB (0.62) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11074021 0.82 NPC1 (0.63) POLBNPC1RAB9AILKSMN1; SMN2
SCHEMBL11887784 0.82 POLB (0.84) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1822190 0.81 NPC1 (0.58) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1981971 0.81 NPC1 (0.62) POLBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22039978 0.81 NPC1 (0.61) NPC1RAB9AILKSMN1; SMN2MEN1
SCHEMBL3239389 0.81 POLB (0.82) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO claimed
US-8273775-B2 Non-steroidal brassinosteroid mimetic VIB VZW (BE) 2012-09-25 US disclosed
EP-2086322-B1 NON-STEROIDAL BRASSINOSTEROID MIMETIC VIB VZW (BE) 2010-12-01 EP disclosed
US-20100152253-A1 NON-STEROIDAL BRASSINOSTEROID MIMETIC VIB VZW (BE) 2010-06-17 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-20100152253-A1 NON-STEROIDAL BRASSINOSTEROID MIMETIC BRI3BP, BRD1, NR1I2 POLB 4205/4885NPC1 1491/4885RAB9A 3585/4885

“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.