SCHEMBL9104973

SCHEMBL9104973

COc1ccc2nc(CP(=O)(O)O)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.51
NQO1 P15559 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PGK1 P00558 1/20 0.46
PGK2 P07205 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
PDE10A Q9Y233 2/20 0.45

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
SCHEMBL3723566 0.83 NCF1 (0.47) NCF1NQO1HDAC1HDAC2KDM4E
SCHEMBL31018934 0.83 NCF1 (0.47) NCF1NQO1HDAC1HDAC2KDM4E
SCHEMBL22353374 0.82 KDM4E (0.43) NCF1NQO1HDAC1HDAC2KDM4E
SCHEMBL7808259 0.81 NCF1 (0.57) NCF1NQO1HDAC1HDAC2KDM4E
SCHEMBL7835368 0.79 NCF1 (0.59) NCF1NQO1HDAC1HDAC2KDM4E
SCHEMBL31434375 0.78 NCF1 (0.54) NCF1NQO1HDAC1HDAC2KDM4E
SCHEMBL4849365 0.78 NCF1 (0.57) NCF1NQO1HDAC1HDAC2KDM4E
Ammonia Solution, Strong SCHEMBL28426316 0.78 NCF1 (0.57) NCF1NQO1HDAC1HDAC2KDM4E
SCHEMBL203756 0.78 NCF1 (0.57) NCF1NQO1HDAC1HDAC2KDM4E
SCHEMBL28254830 0.78 NCF1 (0.62) NCF1NQO1HDAC1HDAC2KDM4E

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-20210255203-A1 NOVEL COMPOUNDS USEFUL AS NEAR-INFRARED FLUORESCENT PROBES SELECTIVELY BINDING TO TAU AGGREGATES AND METHOD OF PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-08-19 US disclosed
US-20120142690-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 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 (2 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-20210255203-A1 NOVEL COMPOUNDS USEFUL AS NEAR-INFRARED FLUORESCENT PROBES SELECTIVELY BINDING TO TAU AGGREGATES AND METHOD OF PREPARING THE SAME MAPT, PSEN1, PSEN2 NCF1 1690/4885NQO1 2775/4885HDAC1 2471/4885
US-20120142690-A1 Substituted piperidines VHL, PIR, PIGO NCF1 2107/4885NQO1 117/4885HDAC1 2109/4885

“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.