SCHEMBL12752138

SCHEMBL12752138

CCn1c(Cc2ccccc2)c(C)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
CYP1A2 P05177 2/20 0.45
HPGD P15428 3/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
BRD4 O60885 1/20 0.43
PSMD14 O00487 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
MPI P34949 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DAO P14920 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 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
SCHEMBL14439991 0.87 MAPT (0.42) KMT2AMEN1CYP1A2HPGDKDM4E
SCHEMBL12752135 0.84 ALDH1A1 (0.45) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL7219933 0.78 UPP1 (0.59) KMT2AMEN1HPGDALDH1A1
SCHEMBL14439998 0.78 ALDH1A1 (0.35) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL7834509 0.72 HPGD (0.55) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL598947 0.69 ALDH1A1 (0.45) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL7759889 0.69 LMNA (0.47) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL27691588 0.69 ALDH1A1 (0.45) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL27711771 0.69 ALDH1A1 (0.57) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL27711720 0.69 HPGD (0.50) KMT2AMEN1HPGDKDM4EALDH1A1

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-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 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 (2 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-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H KMT2A 1544/4885MEN1 4798/4885CYP1A2 3032/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H KMT2A 1544/4885MEN1 4798/4885CYP1A2 3032/4885

“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.