SCHEMBL3229064

SCHEMBL3229064

CC(=O)OCc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
FFAR4 Q5NUL3 1/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 1/20 0.45
RORC P51449 1/20 0.44

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
SCHEMBL27897843 0.88 KMT2A (0.59) HSD17B10KMT2APOLBLMNAALDH1A1
SCHEMBL4232672 0.84 ITGA4 (0.49) KMT2AALDH1A1MEN1TDP1SMN1; SMN2
SCHEMBL11068744 0.84 ALDH1A1 (0.50) KMT2ALMNAALDH1A1MEN1TDP1
SCHEMBL9767892 0.82 KMT2A (0.46) HSD17B10FFAR4KMT2APOLBLMNA
SCHEMBL14930290 0.82 KMT2A (0.46) KMT2AALDH1A1MEN1TDP1SMN1; SMN2
SCHEMBL10034915 0.82 KMT2A (0.46) KMT2AALDH1A1MEN1TDP1SMN1; SMN2
SCHEMBL4645930 0.82 MEN1 (0.48) KMT2APOLBLMNAALDH1A1MEN1
SCHEMBL9767984 0.82 FFAR4 (0.50) HSD17B10FFAR4KMT2APOLBLMNA
SCHEMBL863170 0.81 HSD17B10 (0.55) HSD17B10FFAR4KMT2ALMNAKDM4E
SCHEMBL28695929 0.81 HSD17B10 (0.58) HSD17B10FFAR4KMT2ALMNAKDM4E

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-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-03-18 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-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AVPR2, AVPR1A, AVPR1B HSD17B10 1915/4885FFAR4 621/4885KMT2A 4630/4885

“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.