SCHEMBL5082705

SCHEMBL5082705

COc1cc(NC(C)CCCN2C(=O)c3ccccc3C2=O)c2nc(C(C)(C)C)cc(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IDO1 P14902 1/20 0.41
HTR1A P08908 5/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CASP1 P29466 2/20 0.40
LMNA P02545 2/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NQO2 P16083 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL5083237 0.87 IDO1 (0.47) MAPTMEN1KMT2ARXFP1IDO1
SCHEMBL11543934 0.81 CASP6 (0.49) MAPTMEN1KMT2ARXFP1IDO1
SCHEMBL5080488 0.81 HSP90AA1 (0.46) MAPTMEN1KMT2ARXFP1HTR1A
SCHEMBL11544072 0.81 IDO1 (0.46) MAPTMEN1KMT2ARXFP1IDO1
SCHEMBL11543000 0.79 IDO1 (0.50) MAPTMEN1KMT2ARXFP1IDO1
SCHEMBL6273928 0.78 IDO1 (0.68) MAPTMEN1KMT2AIDO1HTR1A
SCHEMBL11544720 0.78 IDO1 (0.49) MAPTMEN1KMT2ARXFP1IDO1
Hydrochloric Acid SCHEMBL11543564 0.78 IDO1 (0.49) MAPTMEN1KMT2ARXFP1IDO1
SCHEMBL5083258 0.75 IDO1 (0.38) MAPTIDO1HTR1AKDM4EESR1
SCHEMBL4725803 0.75 IDO1 (0.38) MAPTIDO1HTR1AKDM4EESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-6979740-B2 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2005-12-27 US disclosed
EP-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP disclosed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO disclosed
US-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) 2004-09-30 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 (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-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents QDPR, SLC11A2, CYP2C8 MAPT 4223/4885MEN1 2478/4885KMT2A 261/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN MAPT 9/4885MEN1 3687/4885KMT2A 1354/4885

“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.