SCHEMBL19082519

SCHEMBL19082519

CC(C)[S+]([O-])c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
CHRM5 P08912 1/20 0.32
CHKA P35790 1/20 0.32
GAA P10253 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNA1 Q09470 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL16363530 0.75 TDP1 (0.33) LMNACYP2D6TSHRMAOASLC6A2
SCHEMBL777881 0.75 TDP1 (0.33) LMNACYP2D6TSHRMAOASLC6A2
SCHEMBL19082518 0.74 ALDH1A1 (0.38) CYP3A4LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL12697242 0.73 ACHE (0.40) GAAALDH1A1MAOAMAOB
SCHEMBL16174513 0.73 ACHE (0.40) GAAALDH1A1MAOAMAOB
SCHEMBL18207201 0.73
SCHEMBL6973593 0.72
SCHEMBL20223483 0.71 MEN1 (0.38) CYP3A4LMNAMAPTGAAMEN1
SCHEMBL6200461 0.71
SCHEMBL13851039 0.71 ACHE (0.36) MAOAMAOB

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-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-06 US disclosed
CN-105873911-A Thiazole compounds and pest control applications thereof 住友化学株式会社 2016-08-17 CN 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-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 CYP3A4 4463/4885CYP2C19 4303/4885LMNA 1952/4885

“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.