SCHEMBL6793422

SCHEMBL6793422

NC(=S)N(C(=O)c1ccccc1)c1[c]cccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CTSL P07711 1/20 0.33
CTSK P43235 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ADRA2C P18825 1/20 0.33
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7647045 0.87 CES1 (0.38) ALDH1A1TDP1L3MBTL1CYP2C19HSD17B10
SCHEMBL4289334 0.77 TSHR (0.38) ALDH1A1TDP1L3MBTL1CYP2C19HSD17B10
SCHEMBL2762261 0.76 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1CYP2C19HSD17B10
SCHEMBL6796747 0.75 HPGD (0.40) ALDH1A1TDP1L3MBTL1CYP2C19HSD17B10
SCHEMBL482524 0.73 KMT2A (0.45) ALDH1A1POLBRECQLHPGDRAB9A
SCHEMBL4149882 0.73 CES1 (0.35) ALDH1A1TDP1L3MBTL1CYP2C19HSD17B10
SCHEMBL8723486 0.72 KMT2A (0.53) ALDH1A1TDP1L3MBTL1CYP2C19HSD17B10
SCHEMBL6797312 0.72 NR3C2 (0.44) ALDH1A1TDP1L3MBTL1POLBMAPT
SCHEMBL8613623 0.71 GAA (0.46) ALDH1A1TDP1L3MBTL1CYP2C19HSD17B10
SCHEMBL27534116 0.71 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP claimed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US claimed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 ALDH1A1 339/4885TDP1 3979/4885L3MBTL1 1987/4885

“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.