SCHEMBL6287846

SCHEMBL6287846

O=C(O)C1C2CSc3ccccc3C21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.41
EDNRB P24530 2/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MITF O75030 1/20 0.37
GRM2 Q14416 2/20 0.35
GRM3 Q14832 2/20 0.35
MEN1 O00255 2/20 0.35
GRM1 Q13255 2/20 0.35
CYP1A2 P05177 1/20 0.35
GRM8 O00222 1/20 0.35
GRM5 P41594 1/20 0.35
GRM7 Q14831 1/20 0.35
GRM4 Q14833 1/20 0.35
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12749333 1.00 EDNRA (0.41) EDNRAEDNRBALDH1A1GAAKMT2A
SCHEMBL12749329 0.78 TSHR (0.50) ALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL9296193 0.74 TAAR1 (0.36) ALDH1A1GAAKMT2ATDP1MITF
SCHEMBL4463158 0.72 EDNRA (0.46) EDNRAEDNRBALDH1A1KMT2AGRM2
SCHEMBL12749373 0.70 KDM1A (0.50) EDNRAEDNRBGAA
SCHEMBL1478222 0.70 KDM1A (0.50) EDNRAEDNRBGAA
SCHEMBL16450274 0.70 KDM1A (0.50) EDNRAEDNRBGAA
SCHEMBL1477866 0.70 LTB4R (0.42) EDNRAEDNRBKMT2AGRM2GRM3
SCHEMBL1477868 0.70 LTB4R (0.42) EDNRAEDNRBKMT2AGRM2GRM3
SCHEMBL13591292 0.70 LTB4R (0.42) EDNRAEDNRBKMT2AGRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894177-B2 Intermediate compounds of non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-05-17 US disclosed
US-6716850-B2 ESPECIALLY N-(NITROGEN HETEROAR-2-YL)-SUBSTITUTED TETRAHYDROCYCLOPROPA(C)CHROMEN-1-UREAS AND THIOUREAS; TREATING HIV-1, PARTICULARLY A DRUG ESCAPE MUTANT. MEDIVIR AB (SE) 2004-04-06 US disclosed
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-04-10 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-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 EDNRA 3287/4885EDNRB 3429/4885ALDH1A1 1540/4885
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 EDNRA 3287/4885EDNRB 3429/4885ALDH1A1 1540/4885

“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.