SCHEMBL6804145

SCHEMBL6804145

O=C(Nc1[c]cccc1)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
HDAC1 Q13547 1/20 0.53
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 2/20 0.50
GFER P55789 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
PTBP1 P26599 1/20 0.50
KLF5 Q13887 1/20 0.50
APLNR P35414 1/20 0.49

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
SCHEMBL6962468 0.81 RAB9A (0.38) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL14394393 0.75 NPC1 (0.69) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL5565114 0.75 NPC1 (0.54) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL429187 0.74 PTPN1 (0.48) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL1929165 0.74 NPC1 (0.85) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL7361889 0.74 CASP3 (0.54) RAB9ANPC1HDAC1ALDH1A1LMNA
SCHEMBL6804148 0.73 NPC1 (0.77) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL6794112 0.73 HDAC1 (0.60) RAB9AHDAC1CASP3SENP8SENP7
SCHEMBL9725165 0.73 SMN1; SMN2 (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL31228835 0.73 NPC1 (0.82) RAB9ANPC1MEN1KMT2ATDP1

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 15 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
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
CN-110573518-A Substituted bicyclic pyrimidinyl compounds, compositions and uses thereof 尤拉·S·赞特里佐斯 2019-12-13 CN disclosed
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-6469003-B1 COMPOUNDS HAVING CELL ADHESION INHIBITING ACTIVITY NIHON NOHYAKU CO., LTD. (JP) 2002-10-22 US 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-1130015-A1 PYRIDAZINONE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2001-09-05 EP 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 RAB9A 1092/4885NPC1 875/4885MEN1 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.