SCHEMBL13424740

SCHEMBL13424740

COc1nc(C)c(Br)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MERTK Q12866 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
IMPDH2 P12268 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
PIN1 Q13526 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL11374067 0.82 MAPT (0.38) MAPTALDH1A1TSHRDCTPP1TDP1
SCHEMBL31135897 0.81 POLB (0.36) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL25254093 0.81 POLB (0.36) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL2070426 0.76 MAPT (0.46) MAPTALDH1A1MEN1KMT2AMERTK
SCHEMBL15788360 0.75 ALDH1A1 (0.42) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL321260 0.74 MAPT (0.44) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL3102887 0.72 MAPT (0.40) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL9121830 0.72 ALDH1A1 (0.45) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL4627824 0.71 MAPT (0.42) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL14853024 0.71 LMNA (0.40) ALDH1A1TSHRMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010026075-A1 PYRIDINE DERIVATIVES AS INHIBITORS OF HIV-I REVERSE TRANSCRIPTASE F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 WO disclosed
US-20100056535-A1 Inhibitors of HIV-1 reverse transcriptase ROCHE PALO ALTO LLC 2010-03-04 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 (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-20100056535-A1 Inhibitors of HIV-1 reverse transcriptase QTRT1, NQO2, QTRT2 MAPT 1599/4885ALDH1A1 301/4885TSHR 3003/4885

“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.