SCHEMBL5692140

SCHEMBL5692140

N#CC([S])c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC6A4 P31645 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HPRT1 P00492 1/20 0.39
ADRA2A P08913 5/20 0.37
ADRA2C P18825 5/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
ABCB11 O95342 1/20 0.37
NR3C1 P04150 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALOX15 P16050 1/20 0.37
MAOA P21397 1/20 0.37
DRD1 P21728 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
SCHEMBL7595550 0.79 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL12238419 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL10928104 0.76 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL30820045 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL4822950 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL5692111 0.76 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL14201713 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL12238420 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1527193 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL6412671 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
EP-1247655-B1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS MITSUI CHEMICALS INC (JP) 2006-05-31 EP disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1262966-B1 Optical recording medium and novel azaporphyrin compound MITSUI CHEMICALS INC (JP) 2006-04-12 EP disclosed
US-6969764-B2 Mono-, di-, and triazaporphyrin compounds optionally in the form of a metal or metalloid complex MITSUI CHEMICALS, INC. (JP) 2005-11-29 US disclosed
EP-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP disclosed
US-20030194646-A1 Mono-, di-, and triazaporphyrin compounds optionally in the form of a metal or metalloid complex MITSUI CHEMICALS, INC. (JP) 2003-10-16 US disclosed
US-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 US disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (JP) 2002-12-04 EP disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 EP disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 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-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 ALDH1A1 838/4885CYP1A2 308/4885CYP2C9 167/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR ALDH1A1 2071/4885CYP1A2 2451/4885CYP2C9 1767/4885

“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.