SCHEMBL12335437

SCHEMBL12335437

O=C(NCC1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1)Nc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
ALDH1A1 P00352 2/20 0.45
BRD4 O60885 1/20 0.45
BRAF P15056 1/20 0.44
KDR P35968 1/20 0.44
NAMPT P43490 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL12335120 0.83 NAMPT (0.51) NAMPTMEN1KMT2AFAAH
SCHEMBL12335445 0.77 KMT2A (0.55) USP30ALDH1A1NAMPTKMT2AL3MBTL1
SCHEMBL8298095 0.77 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL12334646 0.73 NAMPT (0.51) NAMPTMEN1KMT2AFAAH
SCHEMBL1472459 0.72 EPHX2 (0.53) ALDH1A1TP53MAPTMEN1KMT2A
SCHEMBL12893860 0.72 CNR2 (0.48) ALDH1A1KDRNAMPTSMN1; SMN2L3MBTL1
SCHEMBL3751466 0.69 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL937916 0.69 KDR (0.69) JAK2JAK1TYK2BRAFKDR
SCHEMBL25153828 0.69 MAPT (0.60) USP30NAMPTMAPTSMN1; SMN2KMT2A
SCHEMBL29791119 0.69 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 USP30 3006/4885JAK2 142/4885JAK1 582/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 USP30 3006/4885JAK2 142/4885JAK1 582/4885

“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.