SCHEMBL2889241

SCHEMBL2889241

Cc1c([N+](=O)[O-])ccc2c1OC(C)(C)[C@H](O)[C@H]2NCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 2/20 0.41
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNA5 P22460 5/20 0.39
ABCB1 P08183 3/20 0.39
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.36
GRIN2B Q13224 1/20 0.36
HTR6 P50406 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL2889239 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL5987814 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL13476228 0.89 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL13476073 0.85 RAB9A (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL2889490 0.83 ALDH1A1 (0.40) ALDH1A1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL2889489 0.82 NPC1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL2883701 0.80 IDO1 (0.43) IDO1KCNA5ABCB1
SCHEMBL2883698 0.80 IDO1 (0.43) IDO1KCNA5ABCB1
SCHEMBL13199557 0.79 GRIN2B (0.47) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL13476169 0.79 KCNA5 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1

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 6 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-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
WO-2010018867-A1 DI-SUBSTITUTED BENZOPYRANE COMPOUND 日産化学工業株式会社 (JP) 2010-02-18 WO disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 ALDH1A1 2971/4885SMN1; SMN2 2729/4885NPC1 3993/4885

“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.