SCHEMBL4943328

SCHEMBL4943328

COc1cccc(-n2c(CCCC(=O)NCc3ccccc3)nnc2SCc2cccc(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
NPSR1 Q6W5P4 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GLA P06280 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
TLR8 Q9NR97 1/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
VCP P55072 1/20 0.45

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
SCHEMBL4944918 0.96 ALDH1A1 (0.56) ALDH1A1NPSR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4943986 0.94 ALDH1A1 (0.58) ALDH1A1NPSR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4937987 0.94 ALDH1A1 (0.50) ALDH1A1NPSR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4944607 0.93 ALDH1A1 (0.57) ALDH1A1NPSR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4945331 0.92 ALDH1A1 (0.54) ALDH1A1NPSR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4945036 0.91 ALDH1A1 (0.56) ALDH1A1NPSR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4947045 0.91 ALDH1A1 (0.56) ALDH1A1NPSR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4937992 0.91 ALDH1A1 (0.58) ALDH1A1NPSR1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4943863 0.91 TSHR (0.53) ALDH1A1NPSR1SMN1; SMN2KMT2ACYP1A2
SCHEMBL4947137 0.90 TLR8 (0.46) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP3A4

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
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US claimed
EP-1458381-B1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS (AN) 2005-11-30 EP claimed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 US claimed
EP-1458381-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2004-09-22 EP claimed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO claimed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 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-20050187275-A1 Triazoles as oxytocin antagonists OXTR, AVPR2, AVPR1B ALDH1A1 4091/4885NPSR1 17/4885SMN1; SMN2 3497/4885

“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.