SCHEMBL5301519

SCHEMBL5301519

COc1ccc(NCCC(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
ACHE P22303 1/20 0.48
MAPT P10636 7/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.44
BCL6 P41182 2/20 0.44
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL14602131 0.83 ALDH1A1 (0.47) GAAMAPTALDH1A1MAPK1TDP1
SCHEMBL5302276 0.83 ICMT (0.43) MAPTMAPK1MEN1KMT2AHTT
SCHEMBL20714770 0.81 GAA (0.50) GAAACHEMAPTALDH1A1MAPK1
SCHEMBL4573754 0.81 SUV39H2 (0.52) GAAACHEMAPTALDH1A1MAPK1
Bromide SCHEMBL11012696 0.79 SUV39H2 (0.51) GAAACHEMAPTALDH1A1MAPK1
SCHEMBL7863619 0.78 HTT (0.59) GAAMAPTALDH1A1MAPK1TDP1
SCHEMBL1581321 0.77 PDE5A (0.52) GAAMAPTALDH1A1MAPK1TDP1
SCHEMBL11935576 0.76 STK17B (0.57) GAAMAPTALDH1A1MAPK1TDP1
SCHEMBL8322708 0.74 MAPT (0.57) GAAACHEMAPTALDH1A1MEN1
SCHEMBL11013534 0.74 ALDH1A1 (0.55) GAAACHEMAPTALDH1A1MEN1

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
WO-2007014273-A2 SULFONAMIDES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-02-01 WO disclosed
US-20070021495-A1 SULFONAMIDES AS SELECTIVE ESTROGEN RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-01-25 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-20070021495-A1 SULFONAMIDES AS SELECTIVE ESTROGEN RECEPTOR ESR1, ESR2, GPER1 GAA 3196/4885ACHE 2690/4885MAPT 4331/4885

“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.