SCHEMBL498751

SCHEMBL498751

CC(C)c1cc(-c2ccc(N=NN3CCCC3)cc2)c(CCCO)n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RARA P10276 2/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
NR1H3 Q13133 1/20 0.31
OPRK1 P41145 1/20 0.30

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
SCHEMBL10015871 0.86 NR1H2 (0.37) NR1H2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL498750 0.86 NR1H2 (0.37) NR1H2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10015873 0.86 NR1H2 (0.37) NR1H2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL498896 0.81 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL10015878 0.74 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL10047133 0.74 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL498984 0.73 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL10047137 0.73 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL499554 0.72 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL498741 0.67 NR1H2 (0.38) NR1H2MAPTNR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106089-B2 Reacting pyrrolylalkylcarbinole, furanylalkylcarbinole or thiophenylalkylcarbinole units; cyclodehydration, hydroboration, oxidation, palladium-catalyzed Suzuki-Miyaura cross-coupling; anticarcinogenic agents, antitumor, and antiproliferative agents; autoimmune and neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE (FR) 2012-01-31 US disclosed
US-20080275103-A1 Anti-Tubulin Acting Arylpyrrol, Arylfuran And Arylthiophene Derivatives, Method For The Preparation Thereof And For The Use Thereof As An Antimitotic UNIVERSITE DE RENNES (FR) 2008-11-06 US disclosed
EP-1751100-B1 ANTI-TUBULIN ACTING ARYLPYRROL, ARYLFULRAN AND ARYLTHIOPENE DERIVATIVES, METHOD FOR THE PREPARATION AND USE THEREOF AS AN ANTIMITOTIC CENTRE NAT RECH SCIENT (FR) 2008-01-09 EP 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-20080275103-A1 Anti-Tubulin Acting Arylpyrrol, Arylfuran And Arylthiophene Derivatives, Method For The Preparation Thereof And For The Use Thereof As An Antimitotic TUBB1, TUBB3, TUBB NR1H2 1515/4885MAPT 118/4885GAA 794/4885

“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.