SCHEMBL22845271

SCHEMBL22845271

CC(C)(C)c1ccc(C(=O)NC2CC2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
P2RX7 Q99572 1/20 0.50
ESRRB O95718 1/20 0.48
ESRRG P62508 1/20 0.48
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NTRK1 P04629 1/20 0.47
SLC6A12 P48065 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45

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
SCHEMBL12724987 0.82 HPGD (0.51) HPGDNPC1RAB9AESRRGSMN1; SMN2
SCHEMBL10282412 0.80 RAB9A (0.86) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL9967839 0.80 FLT1 (0.52) NPC1RAB9AESRRBESRRGFLT1
SCHEMBL29077678 0.80 HPGD (0.71) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL16544523 0.79 KDM1A (0.50) HPGDNPC1RAB9ASMN1; SMN2CRHR1
SCHEMBL24665390 0.79 NTRK1 (0.52) HPGDNPC1RAB9ANTRK1SLC6A12
SCHEMBL28378463 0.78 HPGD (0.69) HPGDNPC1RAB9AP2RX7ESRRB
SCHEMBL9967851 0.77 RAB9A (0.48) HPGDNPC1RAB9AESRRGSMN1; SMN2
SCHEMBL4516890 0.77 HPGD (0.68) HPGDNPC1RAB9AP2RX7FLT1
SCHEMBL1820539 0.77 HPGD (0.68) HPGDNPC1RAB9AP2RX7SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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 (3 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL HPGD 1777/4885NPC1 5/4885RAB9A 488/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL HPGD 1777/4885NPC1 5/4885RAB9A 488/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL HPGD 1777/4885NPC1 5/4885RAB9A 488/4885

“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.