SCHEMBL4826411

SCHEMBL4826411

CCc1nc(COc2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGS2 P35354 1/20 0.45
MAOB P27338 1/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP19A1 P11511 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL4000661 0.84 LMNA (0.61) LMNARAB9AMAPTMEN1MAPK1
SCHEMBL4834152 0.80 HDAC1 (0.50) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL4833281 0.79 RAB9A (0.56) RAB9AMAPTMEN1KMT2AMAOB
SCHEMBL19363111 0.78 HDAC1 (0.61) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL6799338 0.77 RAB9A (0.70) LMNARAB9AMAPTMEN1MAPK1
SCHEMBL4831350 0.74 HDAC1 (0.50) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL4825951 0.73 LMNA (0.61) LMNARAB9AMAPTMEN1MAPK1
SCHEMBL12393132 0.73 ALDH1A1 (0.67) LMNARAB9AMAPTMEN1MAPK1
SCHEMBL4834326 0.73 HDAC1 (0.65) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL19308585 0.71 MAOB (0.68) LMNARAB9AMAPTMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 LMNA 2405/4885RAB9A 4059/4885MAPT 3203/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 LMNA 2405/4885RAB9A 4059/4885MAPT 3203/4885

“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.