SCHEMBL1484529

SCHEMBL1484529

CCCCn1c(C(=O)c2cc(C)cc(C=CC#N)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.34
TTR P02766 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL1484527 1.00 AKR1C3 (0.34) AKR1C3TTRNPSR1KMT2AKDM4E
SCHEMBL1484641 0.92 AKR1C3 (0.35) AKR1C3KMT2AMEN1TDP1
SCHEMBL1484642 0.92 AKR1C3 (0.35) AKR1C3KMT2AMEN1TDP1
SCHEMBL13955840 0.90 PTGS2 (0.34) AKR1C3TTRNPSR1KMT2AKDM4E
SCHEMBL12752286 0.89 TTR (0.35) TTRNPSR1KMT2AKDM4EALDH1A1
SCHEMBL12752421 0.88 AKR1C3 (0.33) AKR1C3KMT2AMEN1TDP1
SCHEMBL1484496 0.86 GRIN1 (0.32) AKR1C3KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL1484495 0.86 GRIN1 (0.32) AKR1C3KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12752179 0.85 KMT2A (0.41) KMT2AKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL1484494 0.84 KDM4E (0.37) KMT2AKDM4EALDH1A1POLBSMN1; SMN2

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-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
EP-2167476-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (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 AKR1C3 1452/4885TTR 1913/4885NPSR1 4081/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H AKR1C3 1452/4885TTR 1913/4885NPSR1 4081/4885

“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.