SCHEMBL4946646

SCHEMBL4946646

Cc1cccc(CSc2nnc(CCCCC(=O)NCCc3ccccc3)n2CCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 2/20 0.47
ALOX12 P18054 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL4947270 0.95 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4944627 0.94 KMT2A (0.48) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4946394 0.93 MAPT (0.49) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4942573 0.88 LMNA (0.48) ALDH1A1MEN1KMT2ALMNACYP3A4
SCHEMBL4945513 0.88 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4944067 0.86 MAPT (0.49) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL4940145 0.86 HPGD (0.52) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4944742 0.85 ALDH1A1 (0.49) ALDH1A1KMT2ALMNAHPGDPTGDR2
SCHEMBL4945664 0.84 GAA (0.51) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4945525 0.84 HPGD (0.48) ALDH1A1MEN1KMT2AHPGDCYP3A4

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 4091/4885MEN1 3430/4885KMT2A 4770/4885

“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.