SCHEMBL6834037

SCHEMBL6834037

Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 9/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
TRPM2 O94759 1/20 0.47
MAPT P10636 1/20 0.46
STING1 Q86WV6 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
SCHEMBL6830131 0.90 ALDH1A1 (0.54) PHGDHALDH1A1KDM4EMEN1LMNA
SCHEMBL6833810 0.85 AKR1C2 (0.48) MEN1POLBKMT2AAKR1C4AKR1C3
SCHEMBL6833786 0.80 GRM5 (0.55) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL7129937 0.77 PHGDH (0.44) PHGDH
SCHEMBL6814323 0.75 SNCA (0.59) ALDH1A1KDM4EPOLBAKR1C4AKR1C3
SCHEMBL6835781 0.74 MCL1 (0.55) PHGDHMEN1LMNAKMT2AAKR1C4
SCHEMBL2792109 0.74 PHGDH (0.61) PHGDH
SCHEMBL6353351 0.74 SERPINE1 (0.71) MEN1KMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL6830501 0.74 KMT2A (0.76) ALDH1A1KDM4EMEN1LMNAPOLB
SCHEMBL28838817 0.74 HDAC3 (0.53) PHGDHALDH1A1KDM4EMEN1LMNA

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 PHGDH 1531/4885ALDH1A1 170/4885KDM4E 1240/4885

“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.