SCHEMBL3569221

SCHEMBL3569221

C[C@@H](COc1cccc(Cl)c1)N/C(=N/C#N)Nc1cccc2cnccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
P2RX7 Q99572 1/20 0.42
TRPV1 Q8NER1 11/20 0.40
NOTUM Q6P988 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
THRB P10828 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 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
SCHEMBL3569223 1.00 LMNA (0.44) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL3575477 0.84 TRPV1 (0.52) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL3572064 0.84 TRPV1 (0.52) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL5721065 0.81 P2RX7 (0.39) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL3574870 0.73 TRPV1 (0.53) TRPV1
SCHEMBL3579695 0.73 NOTUM (0.44) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL6405693 0.72 P2RX7 (0.54) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL6405690 0.72 P2RX7 (0.54) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL6402336 0.70 P2RX7 (0.48) LMNAALDH1A1P2RX7TRPV1MAPT
SCHEMBL6402333 0.70 P2RX7 (0.48) LMNAALDH1A1P2RX7TRPV1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 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-20060270693-A1 Ether derivative UROD, IL5, IL17A LMNA 4055/4885ALDH1A1 126/4885SMN1; SMN2 891/4885

“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.