SCHEMBL1817196

SCHEMBL1817196

CCc1cc([N+](=O)[O-])cnc1O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 3/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
IDO1 P14902 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL16078797 0.84 ALDH1A1 (0.40) HTTPOLBMAPTALDH1A1KMT2A
SCHEMBL11600740 0.80 CYP2C19 (0.44) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL1817755 0.79 POLB (0.59) HTTPOLBMAPTALDH1A1KMT2A
SCHEMBL1815323 0.79 POLB (0.50) HTTPOLBMAPTALDH1A1KMT2A
SCHEMBL9978505 0.79 HTT (0.50) HTTPOLBMAPTALDH1A1KMT2A
SCHEMBL801079 0.78 ALDH1A1 (0.50) HTTALDH1A1KMT2AMEN1LMNA
SCHEMBL27579425 0.77 ALDH1A1 (0.47) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL2178791 0.76 ALDH1A1 (0.50) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL14659678 0.76 ALDH1A1 (0.44) HTTMAPTALDH1A1KMT2AMEN1
SCHEMBL30557784 0.76 ALDH1A1 (0.50) HTTMAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020018848-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2020-01-23 WO disclosed
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD HTT 4165/4885POLB 721/4885MAPT 3367/4885

“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.