SCHEMBL4923799

SCHEMBL4923799

COc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.78
GAA P10253 2/20 0.75
MAPT P10636 7/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 4/20 0.66
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
POLB P06746 1/20 0.64
NPC1 O15118 1/20 0.60
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
LMNA P02545 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
RECQL P46063 1/20 0.57
THRB P10828 1/20 0.57
ALOX5 P09917 1/20 0.57

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
SCHEMBL11467827 0.90 GAA (0.67) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL5669632 0.86 GAA (1.00) ALDH1A1GAAMAPTRAB9AMEN1
SCHEMBL2633343 0.86 ALOX5 (0.77) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL2061754 0.86 ALOX5 (0.77) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL28723007 0.86 MEN1 (0.82) ALDH1A1GAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9423776 0.85 ALOX5 (0.75) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL4689851 0.85 MAPK1 (0.67) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL11705060 0.84 MAPT (0.79) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL11974558 0.84 MEN1 (0.77) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL492221 0.82 APP (0.70) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1

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
US-20080188678-A1 Near-infrared-absorbing organic electrochromic materials WANG ZHI YUAN 2008-08-07 US disclosed
US-6894111-B2 Organic electrochromic materials and polymers for optical attenuation in the near infrared region TWLINKS INC. (CA) 2005-05-17 US disclosed
US-6815528-B2 COMPLEX OF RUTHENIUM COMPOUND AND POLYMER TWLINKS INC. (CA) 2004-11-09 US disclosed
US-20030066989-A1 Organic electrochromic materials for optical attenuation in the near infrared region TWLINKS INC. (CA) 2003-04-10 US disclosed
US-20030010963-A1 Organic electrochromic materials and polymers for optical attenuation in the near infrared region TWLINKS INC. (CA) 2003-01-16 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-20080188678-A1 Near-infrared-absorbing organic electrochromic materials VDAC2, VDAC1, VAPA ALDH1A1 2304/4885GAA 4754/4885MAPT 2833/4885

“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.