SCHEMBL754052

SCHEMBL754052

O=C(O)c1nc(Cl)cc2c([N+](=O)[O-])cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 5/20 0.46
GPR35 Q9HC97 1/20 0.43
APEX1 P27695 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR2 P41597 1/20 0.40
DNA2 P51530 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
AKR1C4 P17516 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40
AR P10275 1/20 0.40
FBP1 P09467 1/20 0.39

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
SCHEMBL31728659 0.81 TDP1 (0.42) TDP1ALDH1A1GPR35MEN1KMT2A
SCHEMBL824982 0.80 TDP1 (0.55) TDP1ALDH1A1GPR35MEN1KMT2A
SCHEMBL2191003 0.78 TDP1 (0.52) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2348032 0.75 GPR35 (0.44) TDP1ALDH1A1GPR35TSHRPOLB
SCHEMBL5659170 0.75 TDP1 (0.56) TDP1ALDH1A1GPR35MEN1KMT2A
SCHEMBL11429692 0.74 TDP1 (0.50) TDP1ALDH1A1GPR35APEX1MEN1
SCHEMBL11429694 0.74 TDP1 (0.50) TDP1ALDH1A1GPR35TSHRL3MBTL1
SCHEMBL29157027 0.73 MAPT (0.55) TDP1TSHRPOLBL3MBTL1CASP6
SCHEMBL755951 0.72 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL753241 0.72 MCL1 (0.40) KDM4ETSHR

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-8138215-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-20 US disclosed
US-8138215-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-20 US disclosed
US-20100303755-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-12-02 US disclosed
US-20100303755-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-12-02 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-20100303755-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TDP1 3331/4885ALDH1A1 1144/4885GPR35 4106/4885

“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.