SCHEMBL5378351

SCHEMBL5378351

ON=C1CCc2cc(F)ccc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
CA6 P23280 2/20 0.33
CA3 P07451 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
NOTUM Q6P988 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
PDE3A Q14432 1/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL5378345 1.00 NPC1 (0.33) NPC1RAB9ACA6CA3CA5A
SCHEMBL29015152 0.86 CA6 (0.37) CA6CA3CA5ACA9CA14
SCHEMBL4151075 0.78 ASIC3 (0.42) PARP10SRD5A1
SCHEMBL4151074 0.78 ASIC3 (0.42) PARP10SRD5A1
SCHEMBL8883867 0.78 ASIC3 (0.42) PARP10SRD5A1
SCHEMBL8342556 0.75
SCHEMBL1201175 0.74 CYP2A6 (0.46) HTR2C
SCHEMBL1201177 0.74 CYP2A6 (0.46) HTR2C
SCHEMBL1436025 0.74 DRD1 (0.54)
SCHEMBL1436024 0.74 DRD1 (0.54)

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-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 NPC1 1208/4885RAB9A 1021/4885CA6 3302/4885

“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.