SCHEMBL6903786

SCHEMBL6903786

O=C1OCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 1.00
MAOB P27338 5/20 1.00
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 2/20 0.61
HPGD P15428 2/20 0.61
TYMS P04818 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
RAB9A P51151 2/20 0.50
RECQL P46063 1/20 0.48
PRF1 P14222 1/20 0.48
CES1 P23141 2/20 0.46
NPC1 O15118 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6353583 1.00 MAOA (1.00) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL11522370 1.00 MAOA (1.00) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL22284 1.00 MAOA (1.00) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL29448271 1.00 MAOA (1.00) MAOAMAOBALDH1A1KDM4EHPGD
Water SCHEMBL11007472 0.98 MAOA (0.95) MAOAMAOBALDH1A1KDM4EHPGD
Methane SCHEMBL11197593 0.98 MAOA (0.95) MAOAMAOBALDH1A1KDM4EHPGD
Fluoride SCHEMBL8592140 0.98 MAOA (0.95) MAOAMAOBALDH1A1KDM4EHPGD
Benzene SCHEMBL18492989 0.98 MAOA (0.95) MAOAMAOBALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL11215152 0.98 MAOA (0.95) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL12540036 0.98 MAOA (0.95) MAOAMAOBALDH1A1KDM4EHPGD

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264106-B1 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use BANYU PHARMA CO LTD (JP) 1994-03-16 EP claimed
EP-0272583-B1 5-SUBSTITUTED AMINO-4-HYDROXY-PENTENOIC ACID DERIVATIVES AND THEIR USE Banyu Pharmaceutical Co., Ltd. (JP) 1993-09-15 EP claimed
EP-0173899-B1 2,3-DIHYDROBENZOFURAN-5-SULFONAMIDE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-12-18 EP claimed
US-4927565-A HYPOTENSIVE AGENT BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-05-22 US claimed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 US claimed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP claimed
EP-0272583-A2 5-Substituted amino-4-hydroxy-pentenoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-06-29 EP claimed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 EP claimed
EP-0173899-A2 2,3-Dihydrobenzofuran-5-sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1986-03-12 EP claimed
US-20040198781-A1 Carbonic anhydrase inhibitor PHARMACIA CORPORATION 2004-10-07 US disclosed
EP-1414522-A2 CARBONIC ANHYDRASE INHIBITORS Pharmacia Corporation (US) 2004-05-06 EP disclosed
US-20030100594-A1 Carbonic anhydrase inhibitor PHARMACIA CORPORATION 2003-05-29 US disclosed
WO-2003013655-A2 CARBONIC ANHYDRASE INHIBITORS PHARMACIA CORPORATION (US) 2003-02-20 WO disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 EP disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 EP disclosed
US-4677100-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-06-30 US disclosed
CN-85109769-A The preparation of cephalosporins derivatives and application 1986-12-17 CN disclosed
EP-0186187-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-02 EP disclosed
EP-0173899-A2 2,3-Dihydrobenzofuran-5-sulfonamide derivatives SHIONOGI & CO., LTD. (JP) 1986-03-12 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 (2 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-20030100594-A1 Carbonic anhydrase inhibitor CA2, CA4, CA9 MAOA 910/4885MAOB 1325/4885ALDH1A1 338/4885
US-20040198781-A1 Carbonic anhydrase inhibitor CA2, CA4, CA9 MAOA 910/4885MAOB 1325/4885ALDH1A1 338/4885

“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.