SCHEMBL6830649

SCHEMBL6830649

CC(C)(C)c1ccc(-c2cncc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
SCN10A Q9Y5Y9 1/20 0.54
XDH P47989 4/20 0.52
SERPINE1 P05121 2/20 0.51
NR1H4 Q96RI1 2/20 0.51
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
ALB P02768 2/20 0.45
SLC22A12 Q96S37 1/20 0.43
GAK O14976 1/20 0.43
STK16 O75716 1/20 0.43
PIM1 P11309 1/20 0.43
AXL P30530 1/20 0.43
NEK2 P51955 1/20 0.43
STK3 Q13188 1/20 0.43
STK11 Q15831 1/20 0.43

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
SCHEMBL6833875 0.90 KDM4E (0.52) KCNH2SCN10AXDHKDM1AHDAC1
SCHEMBL6357270 0.90 SERPINE1 (0.62) SERPINE1NR1H4MAPTALBPPARG
SCHEMBL6833755 0.87 KCNH2 (0.55) KCNH2SCN10AXDHSERPINE1KDM1A
SCHEMBL6834140 0.87 SCN10A (0.54) KCNH2SCN10AXDHSERPINE1KDM1A
SCHEMBL6834158 0.86 XDH (0.54) KCNH2SCN10AXDHKDM1AHDAC1
SCHEMBL6833154 0.82 KDM4E (0.54) KCNH2SCN10AXDHSERPINE1KDM4E
SCHEMBL6814812 0.81 KDM4E (0.46) KCNH2SCN10AXDHNR1H4KDM1A
SCHEMBL6835793 0.80 KCNH2 (0.49) KCNH2SCN10AXDHSERPINE1NR1H4
SCHEMBL6833253 0.79 GAK (0.46) KCNH2SCN10AXDHSERPINE1ALB
SCHEMBL6833179 0.79 ALDH1A1 (0.66) KDM4EMAPTALBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KCNH2 1913/4885SCN10A 2695/4885XDH 127/4885

“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.