SCHEMBL7117259

SCHEMBL7117259

O=c1nc(Cc2ccc([N+](=O)[O-])cc2)[nH]c2nc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
RIPK1 Q13546 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.40
GSK3B P49841 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL28817761 0.81 ADORA3 (0.49) KMT2AGAAGSK3B
SCHEMBL7977497 0.80 ADORA3 (0.42) KMT2AGAAGSK3BHTT
SCHEMBL7120142 0.76 ADORA3 (0.39) LMNA
SCHEMBL17000121 0.71 RIPK1 (0.49) RIPK1MEN1KMT2AGAAPKM
SCHEMBL11133896 0.70 ADORA2A (0.47) TDP1XDH
SCHEMBL16318809 0.69 CYP1A2 (0.71) CDC7DBF4POLBLMNATDP1
SCHEMBL13607798 0.69 RIPK1 (0.50) RIPK1MEN1KMT2AGAAPKM
SCHEMBL1923743 0.68 RIPK1 (0.49) RIPK1MEN1KMT2AGAAPKM
SCHEMBL1898184 0.68 GDA (0.48) TDP1XDH
SCHEMBL177700 0.68 TAAR1 (0.57) RIPK1MEN1KMT2AGAAPKM

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
US-20030186978-A1 Novel telomerase inhibitors PHARMACIA ITALIA, SPA (IT) 2003-10-02 US claimed
US-20030186978-A1 Novel telomerase inhibitors PHARMACIA ITALIA, SPA (IT) 2003-10-02 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-20030186978-A1 Novel telomerase inhibitors TERT, TERF2IP, TERF2 CDC7 119/4885DBF4 2412/4885RIPK1 2823/4885

“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.