SCHEMBL2830189

SCHEMBL2830189

C=CCNC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 3/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
KIF11 P52732 9/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29445601 0.79 GAA (0.58) SMN1; SMN2TSHRHTTGAAKIF11
SCHEMBL23353436 0.79 HDAC1 (0.51) KIF11
SCHEMBL18704720 0.78 KIF11 (0.56) KIF11
SCHEMBL23299724 0.78 KIF11 (0.47) HTTKIF11HPGDLMNA
SCHEMBL12603444 0.77 KIF11 (0.58) KIF11LMNA
SCHEMBL23299725 0.77 KIF11 (0.46) MAPTKIF11
SCHEMBL23299715 0.76 LMNA (0.52) TSHRKIF11HPGDLMNAKDM4E
SCHEMBL19903787 0.76 HPGD (0.52) TSHRMAPTHTTKIF11HPGD
SCHEMBL2806972 0.75 L3MBTL1 (0.43) TSHRKIF11HPGDLMNA
SCHEMBL5571489 0.75 KIF11 (0.41) KIF11

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-8475685-B2 Particle and near-field optical waveguide KABUSHIKI KAISHA TOSHIBA (JP) 2013-07-02 US disclosed
US-20100239219-A1 PARTICLE AND NEAR-FIELD OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2010-09-23 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-20100239219-A1 PARTICLE AND NEAR-FIELD OPTICAL WAVEGUIDE F2, AHR, CRY1 SMN1; SMN2 4478/4885TSHR 3330/4885MAPT 3270/4885

“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.