SCHEMBL7098844

SCHEMBL7098844

NC(=Nc1cccc(OC(F)(F)F)c1)N1CCCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MEN1 O00255 2/20 0.41
P2RY1 P47900 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL7099393 0.81 SIGMAR1 (0.44) SIGMAR1KMT2AALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6775782 0.80 SIGMAR1 (0.43) SIGMAR1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL7103386 0.80 SIGMAR1 (0.57) SIGMAR1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL6774554 0.79 SIGMAR1 (0.87) SIGMAR1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL7099090 0.77 SIGMAR1 (0.53) SIGMAR1KMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL8331768 0.76 ALDH1A1 (0.57) SIGMAR1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL6769888 0.75 SIGMAR1 (0.53) SIGMAR1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL7105259 0.74 KMT2A (0.55) SIGMAR1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL6775648 0.72 SIGMAR1 (0.72) SIGMAR1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL7100164 0.72 SIGMAR1 (0.61) SIGMAR1KMT2AALDH1A1L3MBTL1SMN1; SMN2

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 3 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
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO 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 (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 SIGMAR1 2813/4885KMT2A 3542/4885ALDH1A1 479/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885KMT2A 3542/4885ALDH1A1 479/4885

“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.