SCHEMBL2887604

SCHEMBL2887604

COc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@H](O)[C@H]2OC(=O)NCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNA5 P22460 2/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
KCNA3 P22001 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2877931 0.85 NPC1 (0.41) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL2891901 0.85 NPC1 (0.41) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL2891148 0.84 SMN1; SMN2 (0.48) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL2891249 0.84 KCNA3 (0.40) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL2882213 0.84 NPC1 (0.48) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL2882211 0.84 NPC1 (0.48) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL2876618 0.84 NPC1 (0.48) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL2883991 0.83 KCNA5 (0.42) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3596200 0.80 KCNA3 (0.40) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL2875594 0.80 KCNA5 (0.42) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NPC1 3993/4885RAB9A 2024/4885MAPT 4882/4885

“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.