SCHEMBL6792934

SCHEMBL6792934

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
L3MBTL1 Q9Y468 4/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 3/20 0.36
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 2/20 0.31

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
SCHEMBL1416436 0.82 NPSR1 (0.45) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL11673574 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL81706 0.78 ALDH1A1 (1.00) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL11682075 0.78 NPSR1 (0.48) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL28457286 0.76 ALDH1A1 (0.95) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL10332767 0.75 ALDH1A1 (0.83) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL11674082 0.75 ALDH1A1 (0.56) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL6799909 0.74 SIGMAR1 (0.42) ALDH1A1L3MBTL1KMT2AGAA
Methyl Alcohol SCHEMBL27848650 0.74 ALDH1A1 (0.91) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL6797312 0.74 NR3C2 (0.44) ALDH1A1L3MBTL1KMT2AHPGDMEN1

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-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
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP 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 339/4885L3MBTL1 1987/4885KMT2A 968/4885

“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.