SCHEMBL5617554

SCHEMBL5617554

NCCOc1noc(-c2cccs2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NPC1 O15118 9/20 0.38
RAB9A P51151 9/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.35
LTA4H P09960 2/20 0.35
PKM P14618 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TDO2 P48775 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MCL1 Q07820 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33

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
Hydrochloric Acid SCHEMBL8375689 0.99 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5618167 0.81 RAB9A (0.36) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL8375749 0.80 RAB9A (0.35) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5618022 0.77 TAAR1 (0.41) RAB9ASMN1; SMN2MAPK1LTA4HKDM4E
Hydrochloric Acid SCHEMBL8375821 0.76 TP53 (0.43) RAB9ASMN1; SMN2MAPK1LTA4HKDM4E
SCHEMBL8375026 0.75 RAB9A (0.43) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL8375028 0.74 MAPT (0.35) MAPTNPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8377370 0.71 MKNK1 (0.41) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7370318 0.71 KDM4E (0.42) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL8374996 0.71 MKNK1 (0.41) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1

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
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 CN claimed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 CN disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 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 (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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAPT 2325/4885NPC1 738/4885RAB9A 3058/4885

“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.