SCHEMBL3452234

SCHEMBL3452234

O=C(O)CCN(c1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.55
ITGA2B P08514 4/20 0.55
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CPB1 P15086 1/20 0.45
GSTO1 P78417 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 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
SCHEMBL13109483 0.88 ITGB3 (0.52) ITGB3ITGA2BMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3453071 0.88 ITGB3 (0.51) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL13109489 0.87 ITGB3 (0.54) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL13109490 0.87 NPSR1 (0.51) ITGB3ITGA2BMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3452144 0.86 ITGB3 (0.54) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL13109492 0.86 NPSR1 (0.51) ITGB3ITGA2BMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3451760 0.86 NPSR1 (0.51) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL13109491 0.85 ITGB3 (0.53) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL13109497 0.85 ITGB3 (0.59) ITGB3ITGA2BMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3451495 0.85 NPSR1 (0.50) ITGB3ITGA2BMEN1KMT2ACPB1

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R ITGB3 1281/4885ITGA2B 1854/4885MEN1 1990/4885

“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.