SCHEMBL2889411

SCHEMBL2889411

CC1(C)Oc2cc([N+](=O)[O-])ccc2[C@H](NCCc2ccc(F)cc2)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ KCNA5 P22460 4/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ TLR3 O15455 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ KCNJ1 P48048 1/20 0.37

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
SCHEMBL2889409 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL5991146 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL13199557 0.90 GRIN2B (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
Fumaric Acid SCHEMBL5868233 0.84 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2889324 0.81 KCNE1 (0.38) ALDH1A1MAPK1LMNAKCNA5
SCHEMBL2889326 0.81 KCNE1 (0.38) ALDH1A1MAPK1LMNAKCNA5
SCHEMBL2900873 0.81 KCNE1 (0.38) ALDH1A1MAPK1LMNAKCNA5
Hydrochloric Acid SCHEMBL2900903 0.80 KCNE1 (0.37) ALDH1A1MAPK1LMNAKCNA5
Hydrochloric Acid SCHEMBL2887368 0.80 KCNE1 (0.37) ALDH1A1MAPK1LMNAKCNA5
Hydrochloric Acid SCHEMBL2887370 0.80 KCNE1 (0.37) ALDH1A1MAPK1LMNAKCNA5

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-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
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 2024/4885SMN1; 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.

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