SCHEMBL4474826

SCHEMBL4474826

N#Cc1ccc(Oc2ccc(N=C=S)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
SCN9A Q15858 2/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
IL18 Q14116 1/20 0.40
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
CA12 O43570 1/20 0.36

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
SCHEMBL1826488 0.83 ALDH1A1 (0.40) CYP19A1KDM4ELMNAMEN1KMT2A
SCHEMBL13895544 0.76 CYP19A1 (0.59) CYP19A1TTBK1TTBK2SCN9APARP15
SCHEMBL4482372 0.75 CYP11B1 (0.51) CYP19A1TTBK1TTBK2LMNAMAP4K4
SCHEMBL4480751 0.73 CYP19A1 (0.56) CYP19A1TTBK1TTBK2SCN9APARP15
SCHEMBL4376200 0.73 CYP19A1 (0.60) CYP19A1TTBK1TTBK2SCN9APARP15
SCHEMBL2707449 0.73 CYP19A1 (0.56) CYP19A1TTBK1TTBK2SCN9APARP15
SCHEMBL15584627 0.73 CYP19A1 (0.56) CYP19A1TTBK1TTBK2SCN9APARP15
SCHEMBL7041250 0.73 PARP15 (0.63) CYP19A1SCN9APARP15PARP10PARP2
SCHEMBL8852392 0.73 PARP15 (0.63) CYP19A1SCN9APARP15PARP10PARP2
SCHEMBL29696296 0.73 APLNR (0.42) MAPTCA12CA1CA2CA9

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-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
EP-1534276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2008-11-05 EP disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
EP-1534276-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-06-01 EP disclosed
WO-2004021969-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-03-18 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-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E CYP19A1 2152/4885TTBK1 3803/4885TTBK2 3914/4885

“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.