SCHEMBL4996802

SCHEMBL4996802

CC(C)(C)[Si](C)(C)OCc1cc(Cl)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
CYP3A4 P08684 3/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR4A2 P43354 1/20 0.34
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
DDR1 Q08345 1/20 0.33
TP53 P04637 1/20 0.32
USP14 P54578 1/20 0.32
PGR P06401 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL22678373 0.83 MRGPRX4 (0.38) IDO1CYP3A4SMN1; SMN2ALDH1A1MEN1
SCHEMBL22801145 0.83 CYP3A4 (0.38) IDO1CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL1922648 0.81 APLNR (0.35) IDO1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22517612 0.81 KDM5A (0.40) IDO1CYP3A4MEN1PKMKMT2A
SCHEMBL5373425 0.81 MEN1 (0.49) IDO1CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL8936718 0.81 NOS3 (0.36) IDO1CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL29383016 0.81 NOS3 (0.36) IDO1CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL1289637 0.80 IDO1 (0.44) IDO1CYP3A4SMN1; SMN2ALDH1A1TDP1
SCHEMBL2949151 0.78 MEN1 (0.41) IDO1MEN1PKMKMT2A
SCHEMBL21355982 0.78 PYCR1 (0.39) IDO1TSHRSMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456170-B2 Triazolobenzodiazepines and their use as vasopressin antagonists PFIZER INC. (US) 2008-11-25 US disclosed
US-7456170-B2 Triazolobenzodiazepines and their use as vasopressin antagonists PFIZER INC. (US) 2008-11-25 US disclosed
US-20070249585-A1 Triazolobenzodiazepines and Their Use as Vasopressin Antagonists PFIZER INC. 2007-10-25 US disclosed
US-20070249585-A1 Triazolobenzodiazepines and Their Use as Vasopressin Antagonists PFIZER INC. 2007-10-25 US disclosed
EP-1784408-A1 TRIAZOLOBENZODIAZEPINES AND THEIR USE AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2007-05-16 EP disclosed
WO-2006021882-A1 TRIAZOLOBENZODIAZEPINES AND THEIR USE AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-03-02 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 (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-20070249585-A1 Triazolobenzodiazepines and Their Use as Vasopressin Antagonists AVPR2, AVPR1A, AVPR1B IDO1 2555/4885CYP3A4 3730/4885TSHR 44/4885

“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.