SCHEMBL8449792

SCHEMBL8449792

CCCCOc1ccc(NC(=S)NC(=O)c2ccnn2C2=CC=CCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 6/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
PTGES O14684 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
STAT3 P40763 1/20 0.39
NAMPT P43490 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL13956831 0.81 FAAH (0.48) ALDH1A1MAPK1MAPTGAANPC1
SCHEMBL2862653 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTCYP1A2GAA
SCHEMBL2863709 0.80 FAAH (0.50) ALDH1A1MAPK1MAPTNPC1RAB9A
SCHEMBL2865620 0.80 FAAH (0.50) ALDH1A1MAPK1MAPTNPC1RAB9A
SCHEMBL8450229 0.80 RAB9A (0.43) ALDH1A1MAPK1MAPTNPC1RAB9A
SCHEMBL8447273 0.73 BRAF (0.36) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL4368032 0.70 MAPT (0.53) ALDH1A1MAPK1MAPTGAANPC1
SCHEMBL4371855 0.70 ALDH1A1 (0.50) ALDH1A1MAPK1MAPTCYP1A2GAA
SCHEMBL8272728 0.70 SMN1; SMN2 (0.48) ALDH1A1MAPK1MAPTCYP1A2GAA
SCHEMBL2869350 0.69 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTCYP1A2GAA

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-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC ALDH1A1 176/4885MAPK1 3135/4885MAPT 3157/4885

“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.