SCHEMBL4946150

SCHEMBL4946150

O=C(CCCCc1nnc(SCc2ccccc2F)n1CCc1ccccc1)NCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALOX15 P16050 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
SSTR4 P31391 1/20 0.44
SSTR3 P32745 1/20 0.44
PKM P14618 1/20 0.43
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL4943430 0.92 LMNA (0.49) LMNASMN1; SMN2ALDH1A1TP53RXFP1
SCHEMBL4941241 0.89 HPGD (0.54) ALDH1A1NPC1RAB9ATP53RXFP1
SCHEMBL4947259 0.88 GLA (0.53) LMNAALDH1A1TP53RXFP1ALOX15
SCHEMBL4938180 0.88 POLB (0.59) ALDH1A1RXFP1ALOX15MAPK1TDP1
SCHEMBL4946913 0.87 LMNA (0.49) LMNASMN1; SMN2ALDH1A1TP53RXFP1
SCHEMBL4942573 0.86 LMNA (0.48) LMNASMN1; SMN2ALDH1A1TP53RXFP1
SCHEMBL4943001 0.86 ALDH1A1 (0.49) LMNASMN1; SMN2ALDH1A1TP53ALOX15
SCHEMBL4942008 0.85 HPGD (0.54) LMNAALDH1A1TP53RXFP1ALOX15
SCHEMBL13991705 0.84 LMNA (0.45) LMNAALDH1A1TP53RXFP1ALOX15
SCHEMBL4944924 0.82 LMNA (0.49) LMNASMN1; SMN2ALDH1A1RAB9AALOX15

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 LMNA 3028/4885SMN1; SMN2 3497/4885ALDH1A1 4091/4885

“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.