SCHEMBL4833712

SCHEMBL4833712

CCCc1nnc(Cc2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PTK2 Q05397 1/20 0.54
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
TSHR P16473 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
KCNH2 Q12809 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL1817255 0.83 TSHR (0.47) ALDH1A1MAPTNPC1RAB9ACYP2C19
SCHEMBL4826108 0.81 NPC1 (0.48) ALDH1A1MAPTNPC1RAB9ACYP2C19
SCHEMBL4829316 0.76 TSHR (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL670267 0.75 TSHR (0.64) ALDH1A1MAPTCYP2C19POLBTSHR
Ammonia Solution, Strong SCHEMBL18045579 0.73 TSHR (0.62) ALDH1A1MAPTCYP2C19POLBTSHR
Methylamine SCHEMBL9736489 0.72 TSHR (0.60) ALDH1A1MAPTTSHRLOXL2KCNH2
SCHEMBL1827031 0.71 TSHR (0.49) ALDH1A1MAPTNPC1RAB9ACYP2C19
SCHEMBL10608257 0.71 MAPT (0.61) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4836703 0.71 POLB (0.51) ALDH1A1MAPTNPC1RAB9ACYP2C19
SCHEMBL44366 0.71 POLB (0.76) ALDH1A1MAPTCYP2C19CYP1A2CYP2C9

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 ALDH1A1 2652/4885MAPT 3203/4885NPC1 1170/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885MAPT 3203/4885NPC1 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.