SCHEMBL19631183

SCHEMBL19631183

C=CSc1cc(Cl)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
PDE7A Q13946 4/20 0.41
TP53 P04637 1/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
PLA2G1B P04054 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL19431337 0.84 ALDH1A1 (0.47) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL7453199 0.76 CYP3A4 (0.56) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL13840027 0.76 NPC1 (0.53) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL11298759 0.73 CYP3A4 (0.48) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL30422063 0.72 CYP3A4 (0.52) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL3783594 0.72 CYP3A4 (0.52) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL6510514 0.71 CYP3A4 (0.41) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL8263320 0.70 MEN1 (0.56) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL3789429 0.69 CYP3A4 (0.48) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL4962252 0.69 MEN1 (0.53) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2

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-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 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 (2 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 CYP3A4 3978/4885TSHR 4627/4885ALDH1A1 4362/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 CYP3A4 3978/4885TSHR 4627/4885ALDH1A1 4362/4885

“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.