SCHEMBL4834152

SCHEMBL4834152

CCc1nc(Cc2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
POLB P06746 1/20 0.46
RAB9A P51151 4/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A3 Q01959 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL4831350 0.89 HDAC1 (0.50) HDAC1HDAC6POLBRAB9AMAPT
SCHEMBL19363111 0.87 HDAC1 (0.61) HDAC1HDAC6RAB9AMAPTGAA
SCHEMBL4825899 0.82 POLB (0.49) HDAC1HDAC6POLBRAB9AMAPT
SCHEMBL4834326 0.82 HDAC1 (0.65) HDAC1HDAC6RAB9AMAPTGAA
SCHEMBL4826411 0.80 LMNA (0.58) HDAC1HDAC6RAB9AMAPTNPC1
SCHEMBL5149849 0.79 MAPT (0.57) HDAC1HDAC6POLBRAB9AMAPT
Bromide SCHEMBL21382416 0.78 MAPT (0.60) HDAC1HDAC6POLBRAB9AMAPT
SCHEMBL27771675 0.78 SMN1; SMN2 (0.41) HDAC1HDAC6POLBRAB9AMAPT
SCHEMBL16016394 0.77 HDAC1 (0.44) HDAC1HDAC6POLBRAB9AMAPT
SCHEMBL4829173 0.77 HDAC1 (0.44) HDAC1HDAC6POLBRAB9AMAPT

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 6 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
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN 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 HDAC1 662/4885HDAC6 981/4885POLB 3700/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 HDAC1 662/4885HDAC6 981/4885POLB 3700/4885

“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.