SCHEMBL379507

SCHEMBL379507

O=c1c2ccccc2nnn1CCBr

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
HTT P42858 1/20 0.60
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 1/20 0.54
PKM P14618 1/20 0.53

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
SCHEMBL5816179 0.90 KMT2A (0.68) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL4873292 0.83 KMT2A (1.00) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL12247551 0.81 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL29201430 0.81 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL4872274 0.81 KMT2A (0.68) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL17950740 0.81 MEN1 (0.68) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL10919578 0.81 KMT2A (0.82) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL1845784 0.80 KMT2A (0.70) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28844026 0.80 KMT2A (0.66) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL8878218 0.79 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AHTTNPC1

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
CN-108276352-B Nitrogen-containing heterocyclic compound with nematicidal activity and preparation method and application thereof 华东理工大学 2022-09-20 CN disclosed
US-8710261-B2 5-phenyl-pentanoic acid derivatives as matrix metalloproteinase inhibitors for the treatment of asthma and other diseases RANBAXY LABORATORIES LIMITED (IN) 2014-04-29 US disclosed
EP-1856063-B1 5-PHENYL-PENTANOIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FOR THE TREATMENT OF ASTHMA AND OTHER DISEASES RANBAXY LAB LTD (IN) 2012-01-25 EP disclosed
US-20080194565-A1 5-Phenyl-Pentanoic Acid Derivatives as Matrix Metalloproteinase Inhibitors for the Treatment of Asthma and Other Diseases SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2008-08-14 US disclosed
EP-1856063-A1 5-PHENYL-PENTANOIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FOR THE TREATMENT OF ASTHMA AND OTHER DISEASES Ranbaxy Laboratories Limited (IN) 2007-11-21 EP disclosed
WO-2006090235-A1 5-PHENYL-PENTANOIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FOR THE TREATMENT OF ASTHMA AND OTHER DISEASES RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 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 (1 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-20080194565-A1 5-Phenyl-Pentanoic Acid Derivatives as Matrix Metalloproteinase Inhibitors for the Treatment of Asthma and Other Diseases F2RL3, ACOX3, LPAR5 ALDH1A1 2132/4885MEN1 4633/4885KMT2A 4330/4885

“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.