SCHEMBL7103248

SCHEMBL7103248

NC(=Nc1cc(Br)ccc1Br)N1CCCc2cc(C(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 2/20 0.40
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
LMNA P02545 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HSD17B10 Q99714 1/20 0.34
SCN9A Q15858 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
Hydrochloric Acid SCHEMBL6774822 0.91 CNR2 (0.37) NOTUMKMT2APDK1PDK2PDK3
SCHEMBL6765312 0.82 MEN1 (0.50) NOTUMKMT2AMAPTL3MBTL1MEN1
SCHEMBL7106084 0.77 NOTUM (0.41) NOTUMKMT2APDK1PDK2PDK3
SCHEMBL7101931 0.75 KMT2A (0.41) NOTUMKMT2ANPC1MAPTMAPK1
SCHEMBL6775031 0.75 MAPT (0.54) NOTUMKMT2ANPC1MAPTMAPK1
Hydrochloric Acid SCHEMBL6775753 0.73 KMT2A (0.41) NOTUMKMT2ANPC1MAPTMAPK1
SCHEMBL7099398 0.73 KMT2A (0.40) NOTUMKMT2ANPC1MAPTMAPK1
SCHEMBL7613843 0.72 KMT2A (0.39) NOTUMKMT2ANPC1MAPTMAPK1
SCHEMBL7552151 0.70 NOTUM (0.63) NOTUMKMT2APDK1PDK2PDK3
SCHEMBL24011079 0.69 NOTUM (0.84) NOTUMMAPTL3MBTL1LMNA

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-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN NOTUM 439/4885KMT2A 3542/4885PDK1 825/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN NOTUM 439/4885KMT2A 3542/4885PDK1 825/4885

“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.