SCHEMBL3003307

SCHEMBL3003307

CC(=O)C(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 2/20 0.54
TSHR P16473 2/20 0.51
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 3/20 0.42
GPR35 Q9HC97 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSD P07339 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2431836 0.89 CYP1A2 (0.63) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL2431833 0.89 CYP1A2 (0.63) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL27474823 0.87 ALDH1A1 (0.58) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL7733065 0.84 CYP1A2 (0.57) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL974764 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL1305446 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL29688451 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL2413159 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL10546754 0.84 ALDH1A1 (0.68) ALDH1A1CYP1A2TSHRHSD17B10TDP1
SCHEMBL9276508 0.82 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197938-A1 Process for producing indole compoud NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-05 US disclosed
US-20070083053-A1 Process for producing indole compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-12 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 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 (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-20100197938-A1 Process for producing indole compoud IDO1, IDO2, NOS2 ALDH1A1 2357/4885CYP1A2 41/4885TSHR 1679/4885
US-20070083053-A1 Process for producing indole compound IDO2, IDO1, TDO2 ALDH1A1 2793/4885CYP1A2 31/4885TSHR 1763/4885

“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.