SCHEMBL10195625

SCHEMBL10195625

Cc1cc(Br)cc(C)c1Nc1nc(Nc2ccc(C#N)cc2)nc(C)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 10/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
CYP3A4 P08684 2/20 0.41
KCNH2 Q12809 2/20 0.41

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
SCHEMBL13798730 0.88 L3MBTL1 (0.53) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3829826 0.88 L3MBTL1 (0.50) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3822058 0.84 MAPT (0.39) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3822064 0.84 MAPT (0.39) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4106690 0.82 L3MBTL1 (0.43) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3819235 0.82 CYP2C9 (0.58) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1181752 0.77 CYP2C9 (0.61) CYP2C9CYP2C19CYP1A2CYP2D6ABCG2
SCHEMBL15277714 0.76 CYP2C9 (0.48) LMNACYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL13798731 0.75 CYP2C9 (0.38) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15277705 0.74 CYP2C9 (0.53) MEN1KMT2ASMN1; SMN2HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 US disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 US disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 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-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP L3MBTL1 863/4885MAPT 1376/4885MEN1 4828/4885
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP L3MBTL1 863/4885MAPT 1376/4885MEN1 4828/4885

“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.