SCHEMBL7532281

SCHEMBL7532281

COC1=C(C=C=O)N=C(SCc2ccc(OC)cc2)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
SLC29A1 Q99808 2/20 0.42
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL7968127 0.83 PKM (0.36) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL6194820 0.81 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2SLC29A1LMNA
SCHEMBL6201427 0.76 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2SLC29A1LMNA
SCHEMBL9475602 0.73 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2SLC29A1LMNA
SCHEMBL8559107 0.73 SMN1; SMN2 (0.42) ALDH1A1MAPTSMN1; SMN2SLC29A1LMNA
SCHEMBL28070731 0.67 APP (0.60) ALDH1A1MAPTSMN1; SMN2SLC29A1LMNA
SCHEMBL10911256 0.66 CACNA1F (0.56) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9476292 0.65 CACNA1F (0.53) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL6199441 0.64 MEN1 (0.44) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7272032 0.64 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAHTT

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-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ALDH1A1 63/4885MAPT 2100/4885SMN1; SMN2 3671/4885

“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.