SCHEMBL18868136

SCHEMBL18868136

C#CC[n+]1c(/C=C/c2cc3ccc(N(CC)CC)cc3oc2=O)sc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.51
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 7/20 0.51
HPGD P15428 4/20 0.51
NPSR1 Q6W5P4 4/20 0.51
CYP19A1 P11511 2/20 0.44
INSR P06213 3/20 0.44
MAOB P27338 3/20 0.42
ATM Q13315 5/20 0.42
USP2 O75604 4/20 0.42
NPC1 O15118 3/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
RAB9A P51151 2/20 0.42
HBB P68871 2/20 0.42
TP53 P04637 2/20 0.42

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
SCHEMBL18868131 0.91 MAPT (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL18868143 0.88 MAPT (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL18868148 0.88 MAPT (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL61593 0.88 MAPT (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL18868145 0.86 MAPT (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL18868132 0.86 MAPT (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL61619 0.85 MAPT (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17151380 0.84 MAPT (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17151523 0.84 INSR (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL18868138 0.84 MEN1 (0.51) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137418-A1 SMALL MOLECULAR PROBES, PROCESSES AND USE THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2017-05-18 US disclosed
US-20170137418-A1 SMALL MOLECULAR PROBES, PROCESSES AND USE THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2017-05-18 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 (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-20170137418-A1 SMALL MOLECULAR PROBES, PROCESSES AND USE THEREOF APBA1, APP, PRNP MAPT 26/4885MEN1 1123/4885KMT2A 3252/4885

“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.