SCHEMBL2909187

SCHEMBL2909187

CCCC(C)Oc1ccc(NC(=O)N(S)C(=O)c2cc3ccncc3o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
NAMPT P43490 8/20 0.38
ROCK1 Q13464 1/20 0.37
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
NPY5R Q15761 1/20 0.35
P2RX3 P56373 4/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2918383 0.93 SMN1; SMN2 (0.41) SMN1; SMN2TP53MAPTROCK1CYP2C9
Hydrochloric Acid SCHEMBL2910574 0.92 SMN1; SMN2 (0.41) SMN1; SMN2TP53MAPTROCK1CYP2C9
SCHEMBL2918336 0.86 ROCK1 (0.41) SMN1; SMN2TP53NAMPTROCK1CYP2C9
SCHEMBL2914221 0.81 POLB (0.35) SMN1; SMN2TP53MAPTCYP2C9CYP2C19
SCHEMBL2909616 0.79 TP53 (0.40) SMN1; SMN2TP53MAPTROCK1NPY5R
SCHEMBL2911450 0.79 ROCK1 (0.41) SMN1; SMN2TP53MAPTROCK1ALDH1A1
Hydrochloric Acid SCHEMBL2918045 0.79 TP53 (0.39) SMN1; SMN2TP53MAPTROCK1NPY5R
SCHEMBL2944777 0.76 S1PR1 (0.44) SMN1; SMN2MAPTLMNA
SCHEMBL2943875 0.76 S1PR1 (0.44) SMN1; SMN2MAPTLMNA
SCHEMBL2910244 0.74 NPY5R (0.44) SMN1; SMN2TP53MAPTNAMPTROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709047-B1 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-09-01 EP claimed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US claimed
JP-2007517887-A 2007-07-05 JP claimed
EP-1709047-A2 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-10-11 EP claimed
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-10-13 US claimed
WO-2005067900-A2 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-07-28 WO claimed
EP-1709047-B1 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-09-01 EP disclosed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-10-13 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-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication NAT1, PIGS, ADORA1 SMN1; SMN2 2433/4885TP53 575/4885MAPT 4359/4885

“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.