SCHEMBL2889195

SCHEMBL2889195

Cc1c([N+](=O)[O-])ccc2c1OC(C)(C)C1OC21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
IDO1 P14902 2/20 0.37
HSD17B10 Q99714 1/20 0.33
KLK3 P07288 1/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2889197 1.00 TDP1 (0.45) TDP1TSHRSMN1; SMN2ALDH1A1IDO1
SCHEMBL5991033 1.00 TDP1 (0.45) TDP1TSHRSMN1; SMN2ALDH1A1IDO1
SCHEMBL3945682 0.74 PGR (0.37) TDP1ALDH1A1IDO1CYP2C9
SCHEMBL4032191 0.74 PGR (0.37) TDP1ALDH1A1IDO1CYP2C9
SCHEMBL3952226 0.74 PGR (0.37) TDP1ALDH1A1IDO1CYP2C9
SCHEMBL3946596 0.71 TSHR (0.42) TDP1TSHRALDH1A1MAPTL3MBTL1
SCHEMBL12961911 0.71 TSHR (0.42) TDP1TSHRALDH1A1MAPTL3MBTL1
SCHEMBL3946593 0.71 TSHR (0.42) TDP1TSHRALDH1A1MAPTL3MBTL1
SCHEMBL5988457 0.71 ALDH1A1 (0.36) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5988462 0.71 ALDH1A1 (0.36) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 US disclosed
EP-1718629-A2 BENZOPYRAN COMPOUNDS USEFUL FOR THE TREATMENT OF ARRHYTMIA Nissan Chemical Industries, Ltd. (JP) 2006-11-08 EP disclosed
WO-2005080368-A2 BENZOPYRAN COMPOUND USEFUL FOR THE TREATMENT OF ARRHYTMIA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-01 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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 TDP1 4487/4885TSHR 1032/4885SMN1; SMN2 2729/4885

“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.