SCHEMBL3335119

SCHEMBL3335119

CCOC(=O)c1nc(-c2ccc(OC)cc2)no1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.72
MAPT P10636 5/20 0.59
LMNA P02545 3/20 0.59
NPC1 O15118 3/20 0.59
ATM Q13315 1/20 0.59
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
TARBP2 Q15633 2/20 0.55
PDCD4 Q53EL6 1/20 0.55
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TPH1 P17752 2/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL3233714 0.89 HTT (0.71) HTTMAPTLMNANPC1GAA
SCHEMBL15486814 0.87 HTT (0.62) HTTMAPTLMNANPC1ATM
SCHEMBL17055825 0.87 HTT (0.62) HTTMAPTLMNANPC1ATM
SCHEMBL8593668 0.86 HTT (0.68) HTTMAPTLMNANPC1ATM
SCHEMBL28816317 0.86 HTT (0.68) HTTMAPTLMNANPC1GAA
SCHEMBL3230760 0.86 HTT (0.68) HTTMAPTLMNANPC1TARBP2
SCHEMBL28816280 0.86 HTT (0.68) HTTMAPTLMNANPC1POLB
SCHEMBL2554648 0.86 HTT (0.67) HTTMAPTLMNANPC1ATM
SCHEMBL25002919 0.85 LMNA (0.60) HTTMAPTLMNANPC1ATM
SCHEMBL4528391 0.84 HTT (0.66) HTTMAPTLMNANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 HTT 1674/4885MAPT 222/4885LMNA 3738/4885

“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.