SCHEMBL4574293

SCHEMBL4574293

O=C(NC1CCCC1)c1cc(I)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
CNR1 P21554 2/20 0.50
TAS1R3 Q7RTX0 1/20 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
SCHEMBL17373238 0.94 HPGD (0.58) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL1820539 0.81 HPGD (0.68) HPGDSMN1; SMN2NPC1RAB9ACA12
SCHEMBL20197291 0.81 KDM1A (0.60) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL18143897 0.79 HPGD (0.60) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6228759 0.79 NPC1 (0.63) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL20460485 0.79 NPC1 (0.55) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL29956295 0.78 HPGD (0.60) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL16043466 0.78 RAB9A (0.69) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL13493805 0.77 CRHR1 (0.64) HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7118324 0.76 NPC1 (0.51) HPGDNPC1RAB9ACNR1TAS1R3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ HPGD 1243/4885SMN1; SMN2 4487/4885NPC1 658/4885

“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.