SCHEMBL5316378

SCHEMBL5316378

O=C1CSc2cc(F)c(CNCC3CCCC(C(=O)O)C3)cc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
BACE1 P56817 1/20 0.33
KCNH2 Q12809 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL5261492 0.84 HTT (0.45) TRPV1MAOAMAOBHTTKMT2A
SCHEMBL5260370 0.78 HTT (0.41) TRPV1MAOAMAOBHTTKMT2A
SCHEMBL5260367 0.78 HTT (0.41) TRPV1MAOAMAOBHTTKMT2A
SCHEMBL14372292 0.76 KCNH2 (0.42) TRPV1MAOAMAOBKMT2AKCNH2
SCHEMBL5519429 0.75 KCNH2 (0.35) KCNH2
SCHEMBL5438244 0.75 KCNH2 (0.35) KCNH2
SCHEMBL5519433 0.75 KCNH2 (0.35) KCNH2
SCHEMBL14372282 0.75 MTNR1B (0.39) TRPV1MAOAMAOBKMT2AKCNH2
SCHEMBL14372279 0.75 KCNH2 (0.42) KCNH2
SCHEMBL14372295 0.75 SLC2A1 (0.37) TRPV1KMT2AALDH1A1HPGDKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
CN-101035785-A Novel compounds having an anti-bacterial activity MORPHOCHEM AG KOMB CHEMIE (DE) 2007-09-12 CN disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 WO 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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B TRPV1 4477/4885MAOA 1509/4885MAOB 1027/4885

“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.