SCHEMBL6771998

SCHEMBL6771998

CCOC(=O)C1CC(c2ccccc2Br)c2cc(Cl)ccc2N1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 3/20 0.39
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL6770097 0.89 CA1 (0.42) MEN1KMT2APOLBTSHRMAPK1
SCHEMBL6766521 0.89 TSHR (0.46) FDFT1MEN1KMT2APOLBTSHR
SCHEMBL6766435 0.87 MEN1 (0.46) FDFT1MEN1KMT2APOLBHTT
SCHEMBL6770228 0.86 MEN1 (0.42) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL6770849 0.84 MEN1 (0.44) MEN1KMT2APOLBTSHRMAPK1
SCHEMBL6766054 0.84 MEN1 (0.42) MEN1KMT2APOLBTSHRMAPK1
SCHEMBL6767188 0.84
SCHEMBL6941848 0.84 FDFT1 (0.39) FDFT1MEN1KMT2APOLBTSHR
SCHEMBL6769878 0.84 MEN1 (0.41) MEN1KMT2APOLBTSHRMAPK1
SCHEMBL6766316 0.81 MAPK1 (0.38) MEN1KMT2APOLBTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 US disclosed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 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-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives SDHA, CACNA1A, GRIN2C FDFT1 1741/4885MEN1 416/4885KMT2A 1398/4885

“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.