SCHEMBL4903271

SCHEMBL4903271

Ic1[nH]c(CCOCc2ccccc2)nc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SOAT1 P35610 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRMT5 O14744 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CCR2 P41597 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PDE9A O76083 1/20 0.33
CXCR2 P25025 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
REN P00797 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
SCHEMBL4899447 0.88 TSHR (0.42) HRH4HRH3SOAT1HCAR2TSHR
SCHEMBL15555557 0.79 ALDH1A1 (0.49) HRH4HRH3ALDH1A1HCAR2TSHR
SCHEMBL4888818 0.76 ALDH1A1 (0.44) HRH4HRH3ALDH1A1SOAT1HCAR2
SCHEMBL4903158 0.75 ALDH1A1 (0.41) HRH4HRH3ALDH1A1SOAT1HCAR2
SCHEMBL4902689 0.73 CXCR2 (0.36) HRH4HRH3ALDH1A1PRMT5CXCR2
SCHEMBL6962088 0.71 HRH4 (0.43) HRH4HRH3ALDH1A1SOAT1HCAR2
SCHEMBL4901487 0.71 MEN1 (0.36) HRH4HRH3ALDH1A1SOAT1TDP1
SCHEMBL4886521 0.70 ALDH1A1 (0.39) HRH4HRH3ALDH1A1HCAR2TSHR
SCHEMBL20470604 0.70 ALDH1A1 (0.51) HRH4HRH3ALDH1A1HCAR2TSHR
SCHEMBL16321753 0.70 HRH4 (0.43) HRH4HRH3ALDH1A1HCAR2TSHR

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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US disclosed
EP-1740550-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV Pfizer Limited (GB) 2007-01-10 EP disclosed
WO-2005100322-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV PFIZER LIMITED (GB) 2005-10-27 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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 HRH4 530/4885HRH3 621/4885ALDH1A1 84/4885

“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.