SCHEMBL1714515

SCHEMBL1714515

CC(=O)OC(=O)Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PTPRA P18433 1/20 0.44
POLB P06746 1/20 0.43
IDO1 P14902 1/20 0.42
LMNA P02545 1/20 0.42
PARP10 Q53GL7 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Methyl Alcohol SCHEMBL3396777 0.91 ALDH1A1 (0.53) ALDH1A1CYP1A2TSHRKDM4EMAPT
Acetic Acid SCHEMBL6285526 0.90 ALDH1A1 (0.53) ALDH1A1CYP1A2TSHRKDM4EMAPT
SCHEMBL375765 0.89 RAB9A (0.53) ALDH1A1CYP1A2TSHRKDM4EMAPT
SCHEMBL10767575 0.85 KDM4E (0.49) ALDH1A1CYP1A2TSHRKDM4EMAPT
Acetonitrile SCHEMBL10666479 0.83 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRKDM4EMAPT
Toluene SCHEMBL10939845 0.83 MAPT (0.48) ALDH1A1CYP1A2TSHRMAPTRAB9A
SCHEMBL2520545 0.83 RAB9A (0.47) ALDH1A1CYP1A2TSHRKDM4EMAPT
SCHEMBL29390571 0.82 SMN1; SMN2 (0.53) ALDH1A1CYP1A2TSHRKDM4ERAB9A
SCHEMBL78000 0.82 SMN1; SMN2 (0.53) ALDH1A1CYP1A2TSHRKDM4ERAB9A
Pyrrole SCHEMBL28308888 0.81 RAB9A (0.46) ALDH1A1CYP1A2TSHRKDM4EMAPT

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
CN-105264441-A Method of manufacturing transparent substrate provided with cured film, photosensitive resin composition, photosensitive element, and electrical component HITACHI CHEMICAL CO LTD 2016-01-20 CN disclosed
US-8044203-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2011-10-25 US disclosed
EP-1525265-B1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2011-07-20 EP disclosed
EP-2258776-A1 Fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2010-12-08 EP disclosed
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2010-10-21 US disclosed
US-7615646-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2009-11-10 US disclosed
US-20060051758-A1 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-09 US disclosed
EP-1525265-A4 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2005-06-22 EP disclosed
EP-1525265-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE-MELLON UNIVERSITY (US) 2005-04-27 EP disclosed
WO-2004039894-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 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-20060051758-A1 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups IDO1, TDO2, IDO2 ALDH1A1 1689/4885CYP1A2 351/4885TSHR 3273/4885
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS IDO1, IDO2, INMT ALDH1A1 1629/4885CYP1A2 259/4885TSHR 3882/4885

“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.