SCHEMBL4831350

SCHEMBL4831350

CCc1csc(Cc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
POLB P06746 2/20 0.46
MAPT P10636 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
IDO1 P14902 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MAPK1 P28482 1/20 0.40
NPBWR1 P48145 1/20 0.40

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
SCHEMBL4834152 0.89 HDAC1 (0.50) HDAC1HDAC6POLBMAPTRAB9A
SCHEMBL4834326 0.87 HDAC1 (0.65) HDAC1HDAC6MAPTRAB9AGAA
SCHEMBL4834106 0.82 ALDH1A1 (0.50) HDAC1HDAC6POLBMAPTRAB9A
SCHEMBL19363111 0.82 HDAC1 (0.61) HDAC1HDAC6MAPTRAB9AGAA
SCHEMBL15014086 0.77 MAPT (0.45) HDAC1HDAC6POLBMAPTRAB9A
SCHEMBL1836543 0.77 POLB (0.46) HDAC1HDAC6POLBMAPTRAB9A
SCHEMBL4825899 0.77 POLB (0.49) HDAC1HDAC6POLBMAPTRAB9A
SCHEMBL27612995 0.76 HDAC1 (0.50) HDAC1HDAC6POLBMAPTRAB9A
SCHEMBL16573541 0.76 CCR3 (0.40) HDAC1HDAC6MAPTRAB9ANPC1
SCHEMBL1709764 0.76 CCR3 (0.46)

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-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US 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
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.