SCHEMBL6449166

SCHEMBL6449166

C[SiH](C)C(C)(C)COc1ccc(Br)cc1C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.56
PTGDR Q13258 6/20 0.56
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
PTGER2 P43116 1/20 0.39
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
SLC6A9 P48067 1/20 0.34

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
SCHEMBL2287091 0.75 AAK1 (0.47) LMNANPSR1NPC1HPGDRAB9A
SCHEMBL13262573 0.74 PTGDR2 (0.59) PTGDR2PTGDRNPY1RNPY2RPTGER2
SCHEMBL17316727 0.74 PTGDR2 (0.51) PTGDR2PTGDR
SCHEMBL22208677 0.74 TSHR (0.46) LMNANPSR1NPC1HPGDRAB9A
SCHEMBL4816613 0.74 SMN1; SMN2 (0.42) PTGDR2LMNANPC1HPGDRAB9A
SCHEMBL941193 0.74 GLA (0.42) PTGDR2LMNAKMT2ASMN1; SMN2
SCHEMBL6619470 0.73 PTGDR2 (0.42) PTGDR2PTGDRNPY1RNPY2RNPSR1
SCHEMBL6449169 0.73 PTGDR2 (0.51) PTGDR2PTGDRNPY1RNPY2RPTGER2
SCHEMBL2863698 0.72 KMT2A (0.44) PTGDR2NPY1RNPY2RLMNANPC1
SCHEMBL4882946 0.72 PTGDR2 (1.00) PTGDR2PTGDRPTGER2

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-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases INCYTE CORPORATION 2005-01-20 US disclosed
WO-2004066952-A2 BENZOXAZOLE, BENZOTHIAZOLE, AND BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER DISEASES INCYTE CORPORATION (US) 2004-08-12 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-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases AR, CCNT1, BRD1 PTGDR2 941/4885PTGDR 1117/4885NPY1R 919/4885

“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.