SCHEMBL6482935

SCHEMBL6482935

N=C(N)NC(=O)c1cnn(-c2ccc(F)cc2C(F)(F)F)c1C1CC1.N=C(N)NC(=O)c1cnn(-c2ccccc2Cl)c1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.43
THRB P10828 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 5/20 0.42
POLB P06746 1/20 0.42
SHMT2 P34897 1/20 0.41
SLC9A1 P19634 1/20 0.41
SLC9A2 Q9UBY0 1/20 0.41
LMNA P02545 1/20 0.39

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
SCHEMBL4452076 0.92 TP53 (0.47) TP53THRBMAPTPOLBSHMT2
SCHEMBL5261470 0.92 TP53 (0.41) TP53THRBMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6311494 0.91 TP53 (0.46) TP53THRBMAPTPOLBSHMT2
SCHEMBL4446709 0.86 SLC9A1 (0.51) TP53THRBMEN1KMT2AMAPT
SCHEMBL4452480 0.86 SMN1; SMN2 (0.40) TP53THRBMEN1KMT2AMAPT
SCHEMBL4450205 0.85 SLC9A1 (0.48) TP53THRBMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6319607 0.85 SLC9A1 (0.50) TP53THRBMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6311618 0.85 SMN1; SMN2 (0.41) TP53THRBMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6314755 0.85 SLC9A1 (0.48) TP53THRBMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6321489 0.84 SLC9A1 (0.47) TP53THRBMEN1KMT2AMAPT

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-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US claimed

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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R TP53 4547/4885THRB 271/4885MEN1 4557/4885

“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.