SCHEMBL4825713

SCHEMBL4825713

CCn1nnnc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.46
CNR2 P34972 1/20 0.43
PTK2 Q05397 1/20 0.42
HTR1A P08908 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
TGM2 P21980 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
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
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL7823769 0.85 POLB (0.49) ALDH1A1POLBNPC1PTK2LMNA
SCHEMBL5657604 0.80 NPC1 (0.43) ALDH1A1POLBNPC1PTK2LMNA
SCHEMBL4834397 0.77 CNR2 (0.48) ALDH1A1CNR2HTR1ALMNASMN1; SMN2
SCHEMBL4408226 0.77 CNR2 (0.57) ALDH1A1CNR2HTR1ALMNAMAPT
SCHEMBL6358697 0.75 PKM (0.58) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL12414593 0.75 TRPV1 (0.66) ALDH1A1TGM2SMN1; SMN2CYP2C19
SCHEMBL4825891 0.71 ALDH1A1 (0.46) ALDH1A1POLBNPC1CNR2PTK2
SCHEMBL1646112 0.71 POLB (0.50) ALDH1A1POLBMAPTRAB9ALOXL2
SCHEMBL44366 0.70 POLB (0.76) ALDH1A1POLBLMNAMAPTLOXL2
SCHEMBL8094050 0.70 POLB (0.76) ALDH1A1POLBLMNAMAPTLOXL2

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 ALDH1A1 2652/4885POLB 3700/4885NPC1 1170/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885POLB 3700/4885NPC1 1170/4885

“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.