SCHEMBL17784279

SCHEMBL17784279

O=C(O)C1(C(=O)O)N=c2ccccc2=N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
NAPRT Q6XQN6 2/20 0.36
ALOX15 P16050 2/20 0.36
DAO P14920 1/20 0.36
AKR1C1 Q04828 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
P4HTM Q9NXG6 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
PARP1 P09874 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9112829 0.76 CA12 (0.36) NPSR1TDP1THRBTSHRALDH1A1
SCHEMBL15136482 0.76 MAPT (0.36) NPSR1TDP1THRBTSHRALDH1A1
SCHEMBL28956318 0.75 AKR1C1 (0.41) NPSR1TDP1THRBTSHRALDH1A1
SCHEMBL11093099 0.72 CTSD (0.34) NPSR1TDP1TSHRALDH1A1CES1
SCHEMBL9469517 0.67 PKM (0.38) TSHRALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL966475 0.67 SMN1; SMN2 (0.34) TSHRALDH1A1CES2CES1NAPRT
SCHEMBL6688749 0.67 THRB (0.31) NPSR1TDP1THRBTSHRALDH1A1
SCHEMBL9513409 0.67 PKM (0.38) TSHRALOX15SMN1; SMN2LMNACYP2C19
SCHEMBL11884645 0.67 L3MBTL1 (0.33) NPSR1TSHRALDH1A1CES2CES1
SCHEMBL3356415 0.67 KDM4E (0.32) TDP1TSHRALDH1A1ALOX15MAPT

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-9751081-B2 Self-regenerating antioxidant catalysts and methods of using the same CLEMSON UNIVERSITY (US) 2017-09-05 US disclosed
US-20160151773-A1 SELF-REGENERATING ANTIOXIDANT CATALYSTS AND METHODS OF USING THE SAME CLEMSON UNIVERSITY 2016-06-02 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-20160151773-A1 SELF-REGENERATING ANTIOXIDANT CATALYSTS AND METHODS OF USING THE SAME SOD1, CAT, GPX4 NPSR1 3748/4885TDP1 688/4885THRB 4477/4885

“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.