SCHEMBL6830370

SCHEMBL6830370

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2c(-c3ccccc3C(F)(F)F)cc(-c3ccccc3C(F)(F)F)c(NC(=O)Cc3ccccc3)c21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
NTRK1 P04629 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
RORC P51449 5/20 0.35
RXFP1 Q9HBX9 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
PARP14 Q460N5 1/20 0.33
DHODH Q02127 1/20 0.33
ALB P02768 1/20 0.33
ACP1 P24666 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CDK2 P24941 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
SCHEMBL6710232 0.86 NTRK1 (0.34) LMNANTRK1RORCPARP14ACP1
SCHEMBL6710089 0.85 NTRK1 (0.33) LMNANTRK1KDM4EALDH1A1RORC
SCHEMBL6833968 0.81 LMNA (0.40) LMNAKDM4EALDH1A1PKMRORC
SCHEMBL6830543 0.78 ALDH1A1 (0.43) LMNAKDM4EALDH1A1PKMRORC
SCHEMBL6710267 0.76 RXFP1 (0.34) KDM4EALDH1A1RORCRXFP1
SCHEMBL6707799 0.75 RORC (0.35) LMNAKDM4ERORCRXFP1
SCHEMBL6835629 0.74 ALB (0.39) LMNANTRK1DHODHALB
SCHEMBL6830873 0.72 LMNA (0.38) LMNAKDM4EALDH1A1PKMALB
SCHEMBL6834598 0.70 SERPINE1 (0.42) LMNAALDH1A1ALB
SCHEMBL6830752 0.69 ALB (0.40) LMNAALDH1A1PKMALB

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 LMNA 3376/4885NTRK1 3501/4885KDM4E 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.