SCHEMBL589854

SCHEMBL589854

O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)c1cc(Br)nn1-c1ncccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
CNR1 P21554 1/20 0.46
P2RX7 Q99572 1/20 0.43
KCNH2 Q12809 4/20 0.41
DHODH Q02127 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
CHRM1 P11229 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL320836 0.87 P2RX7 (0.42) P2RX7KCNH2DHODHCHRM1
SCHEMBL2138302 0.86 P2RX7 (0.41) CNR2P2RX7KCNH2DHODHCHRM1
SCHEMBL589798 0.83 DHODH (0.41) DHODHTRPV1
SCHEMBL31438692 0.83 DHODH (0.41) DHODHTRPV1
SCHEMBL12911772 0.83 DHODH (0.44) DHODHLMNAHTTTRPV1TSHR
SCHEMBL31231271 0.83 DHODH (0.37) CNR2CNR1P2RX7DHODHLMNA
SCHEMBL22582773 0.83 DHODH (0.37) CNR2CNR1P2RX7DHODHLMNA
SCHEMBL589853 0.82 DHODH (0.41) CNR1DHODHTRPV1TSHR
SCHEMBL461817 0.82 DHODH (0.45) DHODHLMNAHTTTRPV1TSHR
SCHEMBL12528821 0.81 DHODH (0.44) KCNH2DHODHLMNATRPV1

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
EP-2093223-B1 PROCESS AND INTERMEDIATES FOR PRODUCTION OF AN ANTHRANILAMIDE COMPOUND ISHIHARA SANGYO KAISHA (JP) 2013-08-21 EP disclosed
US-8115006-B2 Process for producing anthranilamide compound ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-14 US disclosed
US-20100063293-A1 PROCESS FOR PRODUCING ANTHRANILAMIDE COMPOUND ISHIHARA SANGYO KAISHA ,LTD. (JP) 2010-03-11 US disclosed
EP-2093223-A1 PROCESS FOR PRODUCTION OF ANTHRANILAMIDE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-08-26 EP 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-20100063293-A1 PROCESS FOR PRODUCING ANTHRANILAMIDE COMPOUND NAAA, AAAS, AADAC CNR2 805/4885CNR1 566/4885P2RX7 4653/4885

“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.