SCHEMBL4703370

SCHEMBL4703370

O=C(c1cnc(NNC(=S)NC2c3cnccc3CCc3ccc(F)cc32)c(Cl)c1)N(CCO)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.33
GAA P10253 4/20 0.32
LMNA P02545 2/20 0.32
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
SLC2A1 P11166 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
CFTR P13569 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
LIMK2 P53671 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 1/20 0.31
ROCK2 O75116 2/20 0.30
AGTR1 P30556 2/20 0.30
HTT P42858 2/20 0.30
MAPT P10636 1/20 0.30
GALR3 O60755 1/20 0.30

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
SCHEMBL4698610 0.93 ALDH1A1 (0.36) KDM4CPARP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4698844 0.93 ROCK2 (0.34) LMNAPARP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4700349 0.89 PARP1 (0.36) PARP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4698872 0.85 PARP1 (0.33) PARP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4703627 0.82 KMT2A (0.37) PARP1ALDH1A1MEN1KMT2AROCK2
SCHEMBL4701832 0.82 BDKRB2 (0.38) GAALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL4698698 0.81 PARP1 (0.37) PARP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6389603 0.79 MET (0.36) LMNAALDH1A1KMT2AROCK2MAPT
SCHEMBL6386247 0.78 ALDH1A1 (0.37) KDM4CGAALMNAALDH1A1SMN1; SMN2
SCHEMBL4698835 0.77 ROCK2 (0.36) GAALMNAALDH1A1SMN1; SMN2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP claimed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US claimed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2003051276-A2 THERAPEUTIC HETEROCYCLES ASTRAZENECA AB (SE) 2003-06-26 WO claimed
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 KDM4C 1795/4885GAA 1270/4885LMNA 2266/4885

“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.