SCHEMBL3206868

SCHEMBL3206868

COCCOc1ccc(I)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.48
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ LMNA P02545 4/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 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
SCHEMBL21824111 0.86 MAPT (0.44) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1663359 0.86 MAPT (0.55) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL16665240 0.83 MAPT (0.50) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13475388 0.82 PARP1 (0.47) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL25435452 0.82 ALDH1A1 (0.56) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8495069 0.82 ALDH1A1 (0.53) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL15541009 0.82 MAPT (0.48) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL30041131 0.82 MAPT (0.58) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2477575 0.82 MAPT (0.58) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27038541 0.82 MAPT (0.48) MAPTNPC1RAB9AKMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 — — US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 — — US disclosed
CN-101282725-A Therapeutic agent for diabetes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-10-08 — — CN disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 — — EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 — — US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 — — 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 (3 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 MAPT 4588/4885NPC1 1683/4885RAB9A 3599/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 MAPT 4612/4885NPC1 1377/4885RAB9A 3729/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 MAPT 4588/4885NPC1 1683/4885RAB9A 3599/4885

“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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