SCHEMBL5565853

SCHEMBL5565853

C[C@@H](NC=O)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5561037 1.00 SMN1; SMN2 (0.46) SMN1; SMN2POLBCYP1A2LMNAALDH1A1
SCHEMBL5566179 1.00 SMN1; SMN2 (0.46) SMN1; SMN2POLBCYP1A2LMNAALDH1A1
SCHEMBL8763413 0.89 ADH1B (0.46) SMN1; SMN2ALDH1A1
SCHEMBL7677679 0.79 FFAR2 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL14186856 0.79 HTT (0.46) LMNAALDH1A1CYP2C19
SCHEMBL29062520 0.79 HTT (0.46) LMNAALDH1A1CYP2C19
SCHEMBL7677677 0.79 FFAR2 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL1911630 0.79 HTT (0.46) LMNAALDH1A1CYP2C19
SCHEMBL20811278 0.79 FFAR2 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL11857789 0.79 ESR1 (0.48) SMN1; SMN2CYP1A2LMNAALDH1A1CYP2C19

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
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 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-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B SMN1; SMN2 4725/4885POLB 4601/4885CYP1A2 1035/4885

“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.