SCHEMBL1124345

SCHEMBL1124345

Cc1c(C=CC(=O)O)cnn1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
RAB9A P51151 8/20 0.68
NPC1 O15118 7/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
HPGD P15428 7/20 0.68
ALDH1A1 P00352 7/20 0.68
MAPT P10636 5/20 0.61
TP53 P04637 2/20 0.61
LMNA P02545 6/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
HCRTR1 O43613 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
GAA P10253 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
SCHEMBL1356813 1.00 KDM4E (0.68) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4573000 0.86 KDM4E (0.63) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4893652 0.86 KDM4E (0.63) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL22284555 0.81 PTGS1 (0.49) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL27632131 0.79 KDM4E (0.56) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL27632130 0.79 KDM4E (0.56) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4833248 0.78 CCNC (0.50) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4833261 0.78 CCNC (0.50) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4829106 0.77 PTGS1 (0.54) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL22284752 0.77 RAB9A (0.43) KDM4ERAB9ANPC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS AISSAOUI HAMED (FR) 2011-11-17 US disclosed
EP-2282996-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP disclosed
WO-2009141782-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-26 WO disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (3 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 KDM4E 4406/4885RAB9A 4059/4885NPC1 1170/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 KDM4E 4406/4885RAB9A 4059/4885NPC1 1170/4885
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS QTRT2, RECQL, QTRT1 KDM4E 1537/4885RAB9A 856/4885NPC1 332/4885

“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.