SCHEMBL3842579

SCHEMBL3842579

CC(C)(C)[Si](C)(C)OCCN1CCN(CCN2CCC=C(C(=O)Nn3ccc4ccccc43)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
CYP2C9 P11712 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
SLC6A1 P30531 1/20 0.34

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
SCHEMBL3838240 0.86 DGAT1 (0.33) KMT2AKDM4EALDH1A1LMNABLM
SCHEMBL3837780 0.85 SIGMAR1 (0.38) KMT2AKDM4EALDH1A1LMNABLM
SCHEMBL3841799 0.82 SLC6A1 (0.37) KMT2AKDM4EALDH1A1LMNABLM
SCHEMBL3841744 0.81 HPGD (0.38) KMT2AKDM4EALDH1A1LMNABLM
SCHEMBL3840170 0.79 KDM4E (0.35) KMT2AKDM4EALDH1A1LMNABLM
SCHEMBL3837835 0.78 HTR2C (0.41) KMT2AKDM4EALDH1A1LMNABLM
SCHEMBL4516519 0.77 LMNA (0.48) KMT2AKDM4EALDH1A1LMNABLM
SCHEMBL3837798 0.77 KMT2A (0.50) KMT2AKDM4EALDH1A1LMNABLM
Hydrochloric Acid SCHEMBL4513858 0.77 HTR2C (0.41) KMT2AKDM4EALDH1A1LMNABLM
SCHEMBL3842592 0.75 CHRM2 (0.46) LMNABLMPMP22CYP1A2CYP2D6

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
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds LES LABORATOIRES SERVIER (FR) 2009-10-15 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-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 KMT2A 871/4885KDM4E 2039/4885ALDH1A1 370/4885

“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.