SCHEMBL4543532

SCHEMBL4543532

O=C(NSc1cccc(OCC2CCCCC2)c1)NC(=O)c1cc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
POLB P06746 3/20 0.42
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KAT6A Q92794 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 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
SCHEMBL4361546 0.83 HPGD (0.49) RAB9AHPGDTSHRSMN1; SMN2SIRT2
SCHEMBL4360383 0.81 SMN1; SMN2 (0.47) RAB9AHPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL4543534 0.79 NPC1 (0.59) RAB9AHPGDSMN1; SMN2SIRT2POLB
SCHEMBL4358710 0.78 RAB9A (0.47) RAB9AHPGDTSHRSMN1; SMN2POLB
SCHEMBL4365533 0.77 NPC1 (0.47) RAB9AHPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL4370539 0.76 RAB9A (0.41) RAB9AHPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL3634482 0.76 SMN1; SMN2 (0.51) RAB9AHPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL4366956 0.75 SMN1; SMN2 (0.48) RAB9AHPGDTSHRSMN1; SMN2ALDH1A1
SCHEMBL4538068 0.74 SMN1; SMN2 (0.49) RAB9AHPGDTSHRSMN1; SMN2POLB
SCHEMBL4366943 0.74 SPHK2 (0.40) RAB9AHPGDTSHRSMN1; SMN2SIRT2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
EP-1562895-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2005-08-17 EP claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004046095-A1 SUBSTITUTED ARYL THIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2004-06-03 WO claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT RAB9A 2176/4885HPGD 3824/4885TSHR 245/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 RAB9A 2273/4885HPGD 3743/4885TSHR 130/4885

“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.