SCHEMBL432918

SCHEMBL432918

O=C1CCCc2ccccc2N1F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46
CYP2A6 P11509 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NOTUM Q6P988 1/20 0.43
TP53 P04637 1/20 0.42
SIGMAR1 Q99720 1/20 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
SCHEMBL29648201 0.79 HPGD (0.55) MEN1KMT2ACYP1A2CYP2A6NOTUM
SCHEMBL1044845 0.79 HPGD (0.55) MEN1KMT2ACYP1A2CYP2A6NOTUM
SCHEMBL678115 0.78 MEN1 (0.50) MEN1KMT2APOLBCYP1A2CYP2C9
SCHEMBL8164410 0.78 MEN1 (0.50) MEN1KMT2APOLBCYP1A2CYP2C9
SCHEMBL29946500 0.78 MEN1 (0.50) MEN1KMT2APOLBCYP1A2CYP2C9
SCHEMBL6949386 0.78 MEN1 (0.50) MEN1KMT2APOLBCYP1A2CYP2C9
SCHEMBL28735599 0.78 HPGD (0.53) MEN1KMT2ACYP1A2CYP2A6NOTUM
Hydrochloric Acid SCHEMBL1977939 0.77 MEN1 (0.49) MEN1KMT2APOLBCYP1A2CYP2C9
SCHEMBL9627340 0.76 HPGD (0.66) MEN1KMT2APOLBCYP1A2CYP2C9
SCHEMBL677619 0.74 MEN1 (0.50) MEN1KMT2APOLBCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 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-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP MEN1 2627/4885KMT2A 1376/4885POLB 3874/4885

“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.