SCHEMBL21715570

SCHEMBL21715570

COC(=O)c1ccc(/C=N/Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 1/20 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
SCHEMBL2581135 0.88 NPC1 (0.58) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL2581136 0.88 NPC1 (0.58) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL21715553 0.82 MEN1 (0.54) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL2215429 0.81 L3MBTL1 (0.60) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL2215434 0.81 L3MBTL1 (0.60) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL2533095 0.81 CA1 (0.68) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL2533097 0.81 CA1 (0.68) POLBKMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL5676903 0.81 LOXL2 (0.65) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL12973292 0.80 POLB (0.68) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL14659792 0.80 POLB (0.68) POLBKMT2AMEN1MAPTALDH1A1

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-10836761-B2 Cinchonine-derived catalysts and methods of using same BRANDEIS UNIVERSITY (US) 2020-11-17 US disclosed
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME BRANDEIS UNIVERSITY (US) 2020-02-13 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-10836761-B2 Cinchonine-derived catalysts and methods of using same MCM2, MCM7, MCM5 POLB 57/4885KMT2A 2038/4885MEN1 210/4885
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME MCM2, MCM7, MCM5 POLB 57/4885KMT2A 2038/4885MEN1 210/4885

“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.