SCHEMBL26477335

SCHEMBL26477335

Cc1nc(-c2ccc(CC(C)C)cc2)ncc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.36
S1PR3 Q99500 2/20 0.36
XDH P47989 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCB11 O95342 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
HIPK1 Q86Z02 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
HIPK3 Q9H422 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
EDNRA P25101 2/20 0.33
EDNRB P24530 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL26479608 0.85 KDM4E (0.34) S1PR1S1PR3XDHMEN1POLB
SCHEMBL22275388 0.82 S1PR1 (0.39) S1PR1S1PR3XDHMEN1POLB
SCHEMBL22275370 0.81 USP1 (0.38) S1PR1S1PR3XDHMEN1POLB
SCHEMBL26477333 0.79 NPC1 (0.47) XDHMEN1POLBMAPTKMT2A
SCHEMBL22275553 0.78 KDM4E (0.39) S1PR1S1PR3XDHMEN1POLB
SCHEMBL26477338 0.78 RAB9A (0.55) MEN1MAPTKMT2AKDM4ENPC1
SCHEMBL26477329 0.77 XDH (0.42) S1PR1S1PR3XDHMEN1POLB
SCHEMBL26477339 0.74 XDH (0.40) S1PR1S1PR3XDHMEN1POLB
SCHEMBL26936148 0.72 S1PR1 (0.40) S1PR1S1PR3XDHMEN1POLB
SCHEMBL21955636 0.72 S1PR1 (0.47) S1PR1S1PR3XDHMEN1POLB

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-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 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-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC S1PR1 3766/4885S1PR3 4534/4885XDH 2939/4885

“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.