SCHEMBL5860883

SCHEMBL5860883

O=[N+]([O-])c1ccc2cnn(CCN3CCCC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.54
HTR7 P34969 1/20 0.52
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 1/20 0.50
BCHE P06276 2/20 0.48
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
PKM P14618 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
MCHR1 Q99705 5/20 0.46
MCHR2 Q969V1 3/20 0.45
NPC1 O15118 1/20 0.44
LTA4H P09960 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL521889 0.90 GLS (0.52) GLSHTR7ALDH1A1MEN1LMNA
SCHEMBL2075325 0.90 GLS (0.68) GLSHTR7ALDH1A1MEN1LMNA
SCHEMBL6069917 0.89 GLS (0.67) GLSHTR7ALDH1A1MEN1LMNA
SCHEMBL29190623 0.81 GLS (0.59) GLSMEN1LMNAKMT2APKM
SCHEMBL14923499 0.81 GLS (0.59) GLSMEN1LMNAKMT2ANPC1
SCHEMBL30833705 0.81 GLS (0.59) GLSMEN1LMNAKMT2APKM
SCHEMBL22126712 0.81 GLS (0.59) GLSHTR7LMNACNR1CNR2
SCHEMBL16931087 0.80 GLS (0.65) GLSHTR7ALDH1A1MEN1LMNA
SCHEMBL521026 0.80 GLS (0.65) GLSALDH1A1MEN1LMNAKMT2A
SCHEMBL22502262 0.79 GLS (0.56) GLSLMNACNR1CNR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101948433-B Method for separating and purifying substituted indazole isomer UNIV ZHENGZHOU 2012-05-09 CN claimed
CN-101948433-B Method for separating and purifying substituted indazole isomer UNIV ZHENGZHOU 2012-05-09 CN disclosed
CN-101948433-A Method for separating and purifying substituted indazole isomers UNIV ZHENGZHOU 2011-01-19 CN disclosed
US-7071182-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-07-04 US disclosed
US-7049307-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-05-23 US disclosed
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-12-15 US disclosed
US-20050187279-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-08-25 US disclosed
US-20050137187-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 US 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 (4 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-20050137187-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R GLS 1607/4885HTR7 125/4885ALDH1A1 2303/4885
US-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R GLS 1607/4885HTR7 125/4885ALDH1A1 2303/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R GLS 1607/4885HTR7 125/4885ALDH1A1 2303/4885
US-20050187279-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R GLS 1607/4885HTR7 125/4885ALDH1A1 2303/4885

“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.