SCHEMBL4889012

SCHEMBL4889012

CCc1nc(COCc2ccccc2)n(CC)c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
VCP P55072 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
ADORA1 P30542 1/20 0.34
GSK3B P49841 1/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL4901487 0.69 MEN1 (0.36) MEN1PKMKMT2AALDH1A1L3MBTL1
SCHEMBL22322658 0.68 KMT2A (0.44) TSHRMEN1KMT2AVCPALDH1A1
SCHEMBL23261777 0.67 VCP (0.36) TSHRKMT2AVCPALDH1A1MAPK1
SCHEMBL31085266 0.67 TSHR (0.36) TSHRMEN1KMT2AVCPKDM4E
SCHEMBL17895924 0.67 AGTR1 (0.43) TSHRMEN1KMT2AVCPKDM4E
Propane SCHEMBL11584021 0.67 TSHR (0.83) TSHRKDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL23262831 0.67 TSHR (0.39) TSHRVCPKDM4EALDH1A1LMNA
SCHEMBL31085183 0.65 MAOA (0.36) TSHRPKMKDM4EALDH1A1LMNA
SCHEMBL8567515 0.65 VCP (0.41) TSHRVCPALDH1A1L3MBTL1CYP1A2
SCHEMBL27380 0.65 TSHR (1.00) TSHRKDM4EALDH1A1LMNACYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
EP-1838679-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS Pfizer Limited (GB) 2007-10-03 EP disclosed
WO-2006072833-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS PFIZER LIMITED (GB) 2006-07-13 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-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators POLRMT, POLR1G, POLR2A TSHR 1981/4885MEN1 4453/4885PKM 1788/4885

“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.