SCHEMBL6568601

SCHEMBL6568601

COc1ccc2c(c1)C(C#N)(O[Si](C)(C)C)CCC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
POLA1 P09884 4/20 0.41
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
EHMT2 Q96KQ7 1/20 0.36

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
SCHEMBL7570951 0.92 KDM1A (0.50) KDM1ASIGMAR1POLA1CYP2C19CYP3A4
SCHEMBL8635505 0.92 ALDH1A1 (0.41) POLA1CYP2C9TSHRCYP2C19CYP3A4
SCHEMBL3905338 0.84 OPRM1 (0.33) KDM1ASIGMAR1KMT2A
SCHEMBL9364462 0.84 ADRA2A (0.43) KDM1ASIGMAR1CYP3A4KMT2AKDM4E
SCHEMBL3899441 0.83 MEN1 (0.43) KDM1ASIGMAR1KMT2A
SCHEMBL3900065 0.83 KDM1A (0.43) KDM1ASIGMAR1ALDH1A1
SCHEMBL769008 0.83 KDM1A (0.43) KDM1ACYP3A4KDM4EJAK2ALDH1A1
SCHEMBL768934 0.83 BACE1 (0.43) KDM1A
SCHEMBL2777365 0.80 GAA (0.34) CYP3A4ALDH1A1
SCHEMBL15897036 0.79 BACE1 (0.37) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017123518-A1 AMINOTRIAZOLE IMMUNOMODULATORS FOR TREATING AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO disclosed
WO-2017123518-A1 AMINOTRIAZOLE IMMUNOMODULATORS FOR TREATING AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO disclosed
US-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 US disclosed
EP-1403256-A1 FUSED IMIDAZOLE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-31 EP 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-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 KDM1A 2636/4885SIGMAR1 1826/4885POLA1 2511/4885

“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.