SCHEMBL7287709

SCHEMBL7287709

COc1c(O)cc(C=C(C(C)=O)C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.70
TPMT P51580 1/20 0.56
MAPT P10636 2/20 0.47
DBH P09172 1/20 0.46
GLO1 Q04760 1/20 0.46
EGFR P00533 1/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
XDH P47989 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40

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
SCHEMBL16884461 0.85 GPR35 (0.65) GPR35TPMTMAPTGLO1MEN1
Nitecapone SCHEMBL30489171 0.82 GPR35 (1.00) GPR35MAPTGLO1EGFRMEN1
Nitecapone SCHEMBL7039409 0.82 GPR35 (1.00) GPR35MAPTGLO1EGFRMEN1
Nitecapone SCHEMBL128420 0.82 GPR35 (1.00) GPR35MAPTGLO1EGFRMEN1
SCHEMBL3325762 0.81 XDH (0.63) GPR35TPMTMAPTDBHEGFR
SCHEMBL7279215 0.81 GPR35 (0.70) GPR35MAPTEGFRGAATDP1
SCHEMBL8028708 0.81 GPR35 (0.85) GPR35MAPTGLO1EGFRMEN1
SCHEMBL14175318 0.76 TUBB1 (0.68) TPMTMAPTDBHMEN1ALDH1A1
SCHEMBL17527235 0.76 TUBB1 (0.68) TPMTMAPTDBHMEN1ALDH1A1
SCHEMBL13557412 0.74 TPMT (0.66) GPR35TPMTMAPTDBHTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323162-B1 NEW USE OF CATECHOL-O-METHYL TRANSFERASE (COMT) INHIBITORS AND THEIR PHYSIOLOGICALLY ACCEPTABLE SALTS AND ESTERS ORION YHTYMAE OY (FI) 1993-09-15 EP claimed
US-5001152-A Use of catechol-O-methyl transferase (COMT) inhibitors and their physiologically acceptable salts for ulcer treatment ORION CORPORATION LTD. (FI) 1991-03-19 US claimed
WO-1990002724-A1 SUBSTITUTED β-DIKETONES Orion-Yhtymä Oy (FI) 1990-03-22 WO claimed
EP-0323162-A2 New use of catechol-o-methyl transferase (comt) inhibitors and their physiologically acceptable salts and esters ORION-YHTYMÀ„ OY (FI) 1989-07-05 EP claimed
US-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF BISCAYNE NEUROTHERAPEUTICS, INC. 2015-07-09 US disclosed
US-5288750-A Antiulcer agents for gastrointestinal disorders ORION-YHTYMA OY (FI) 1994-02-22 US disclosed
EP-0323162-B1 NEW USE OF CATECHOL-O-METHYL TRANSFERASE (COMT) INHIBITORS AND THEIR PHYSIOLOGICALLY ACCEPTABLE SALTS AND ESTERS ORION YHTYMAE OY (FI) 1993-09-15 EP disclosed
US-5001152-A Use of catechol-O-methyl transferase (COMT) inhibitors and their physiologically acceptable salts for ulcer treatment ORION CORPORATION LTD. (FI) 1991-03-19 US disclosed
WO-1990002724-A1 SUBSTITUTED β-DIKETONES Orion-Yhtymä Oy (FI) 1990-03-22 WO disclosed
EP-0323162-A2 New use of catechol-o-methyl transferase (comt) inhibitors and their physiologically acceptable salts and esters ORION-YHTYMÀ„ OY (FI) 1989-07-05 EP 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-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF HTT, HNMT, GAP43 GPR35 389/4885TPMT 111/4885MAPT 5/4885

“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.