SCHEMBL4904524

SCHEMBL4904524

CCOC(=O)c1[nH]c(COCc2ccccc2)nc1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
KMT2A Q03164 1/20 0.48
ADORA3 P0DMS8 6/20 0.46
MAPT P10636 1/20 0.44
STAT1 P42224 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 2/20 0.42
CSNK1D P48730 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE9A O76083 1/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40

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
SCHEMBL4899230 0.91 RAB9A (0.45) RAB9ANPC1KMT2AADORA3MAPT
SCHEMBL7310655 0.80 ALDH1A1 (0.44)
SCHEMBL4899447 0.76 TSHR (0.42) PDE9A
SCHEMBL4900968 0.76 ALDH1A1 (0.48) RAB9ANPC1KMT2AADORA3MAPT
SCHEMBL4896898 0.74 ALDH1A1 (0.46) KMT2AMAPTPOLB
SCHEMBL22272841 0.74 RAB9A (0.49) RAB9ANPC1KMT2AADORA3MAPT
SCHEMBL4902069 0.71 TSHR (0.46) RAB9ANPC1KMT2AADORA3MAPT
SCHEMBL16210583 0.70 TSHR (0.41) MAPTSMN1; SMN2
SCHEMBL8394592 0.70 ALDH1A1 (0.61) RAB9ANPC1KMT2AMAPTTP53
SCHEMBL23351434 0.70 PDE4A (0.56) RAB9ANPC1KMT2AMAPTSTAT1

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 RAB9A 4299/4885NPC1 2163/4885KMT2A 2046/4885

“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.