SCHEMBL6804148

SCHEMBL6804148

O=C(Nc1cc[c]cc1)c1cccs1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.77
RAB9A P51151 8/20 0.77
MEN1 O00255 6/20 0.77
KMT2A Q03164 6/20 0.77
TDP1 Q9NUW8 1/20 0.77
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 7/20 0.66
MAPT P10636 4/20 0.66
LMNA P02545 3/20 0.66
HTT P42858 3/20 0.66
GFER P55789 1/20 0.66
TP53 P04637 2/20 0.60
CASP3 P42574 1/20 0.60
CASP2 P42575 1/20 0.60
GAA P10253 1/20 0.57
THRB P10828 1/20 0.57
KDM4E B2RXH2 1/20 0.57
PTBP1 P26599 1/20 0.56
KLF5 Q13887 1/20 0.56

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
SCHEMBL1929165 0.84 NPC1 (0.85) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8771200 0.82 NPC1 (0.89) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL19392293 0.82 NPC1 (0.89) NPC1RAB9AMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL31228835 0.82 NPC1 (0.82) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL883881 0.82 RAB9A (0.65) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL2063276 0.81 NPC1 (0.86) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL6667286 0.81 ALDH1A1 (1.00) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL558402 0.79 NPC1 (0.47) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL22804218 0.79 NPC1 (0.83) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL12495837 0.79 NPC1 (1.00) NPC1RAB9AMEN1KMT2ATDP1

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 11 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
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 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 NPC1 875/4885RAB9A 1092/4885MEN1 2703/4885

“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.