SCHEMBL2405040

SCHEMBL2405040

O=C(NCc1cccs1)C1=NOC2(CCN(C(=O)CCCOc3ccccc3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 6/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
POLB P06746 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2402651 0.88 HPGD (0.43) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL6415283 0.87 PKM (0.45) PKMRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL6785148 0.85 HPGD (0.40) PKMRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL2399855 0.83 NPC1 (0.48) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL2399298 0.82 RAB9A (0.56) PKMRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL2399304 0.81 FKBP1A (0.48) RAB9AHPGDMAPTGAAALDH1A1
SCHEMBL2401534 0.78 HPGD (0.42) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL2401537 0.78 AVPR1A (0.43) PKMSMN1; SMN2HPGDGAAALDH1A1
SCHEMBL2575305 0.77 SMN1; SMN2 (0.45) SMN1; SMN2HPGDMAPTALDH1A1TSHR
SCHEMBL2400885 0.76 ABL1 (0.46) PKMRAB9ASMN1; SMN2NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 PKM 1372/4885RAB9A 2221/4885SMN1; SMN2 1407/4885

“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.