SCHEMBL498744

SCHEMBL498744

CC(C)c1cc(-c2ccccc2N)c(CCCO)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.38
BRD4 O60885 2/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 4/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
ILK Q13418 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHEK1 O14757 1/20 0.30
WEE1 P30291 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL498978 0.83 BACE1 (0.36) GCGRALDH1A1KDM4EPOLBTSHR
SCHEMBL10015874 0.79 RAD52 (0.32)
SCHEMBL5176211 0.67 GCGR (0.35) GCGRBRD4ALDH1A1L3MBTL1HSD17B10
Methyl Alcohol SCHEMBL28248582 0.62 ALDH1A1 (0.81) BRD4ALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL499037 0.61 HIF1A (0.36) KDM4EPOLBHTTMAPT
SCHEMBL723196 0.60 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EPOLBHSD17B10
SCHEMBL17454722 0.60 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10TSHRSMN1; SMN2
SCHEMBL29573041 0.60 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EPOLBHSD17B10
SCHEMBL169281 0.59 ALDH1A1 (1.00) ALDH1A1L3MBTL1KDM4EHSD17B10NPC1
SCHEMBL31607672 0.59 ALDH1A1 (1.00) ALDH1A1L3MBTL1KDM4EHSD17B10NPC1

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 10 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-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-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
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
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
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
EP-1751100-A1 ANTI-TUBULIN ACTING ARYLPYRROL, ARYLFULRAN AND ARYLTHIOPENE DERIVATIVES, METHOD FOR THE PREPARATION AND USE THEREOF AS AN ANTIMITOTIC Centre National de la Recherche Scientifique (CNRS) (FR) 2007-02-14 EP disclosed
WO-2005115979-A1 ANTI-TUBULIN ACTING ARYLPYRROL, ARYLFULRAN AND ARYLTHIOPENE DERIVATIVES, METHOD FOR THE PREPARATION AND USE THEREOF AS AN ANTIMITOTIC CENTRE NATIONAL DE LA RECHERCHE SCIENTIQUE (CNRS) (FR) 2005-12-08 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-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 GCGR 4515/4885BRD4 371/4885ALDH1A1 852/4885

“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.