SCHEMBL4837778

SCHEMBL4837778

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.33
RET P07949 1/20 0.33
PANK3 Q9H999 1/20 0.33
BCL6 P41182 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
P2RY12 Q9H244 1/20 0.32
USP1 O94782 1/20 0.32
GBA1 P04062 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CFD P00746 1/20 0.31
PARP1 P09874 1/20 0.30
IDH1 O75874 1/20 0.30
TSHR P16473 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL4430532 0.78 GNAI3 (0.41) MAPTALDH1A1MAPK1HTTMEN1
SCHEMBL4426871 0.78 GNAI3 (0.41) MAPTALDH1A1MAPK1HTTMEN1
SCHEMBL1848808 0.77 SMO (0.46) HSP90AA1MAPTALDH1A1USP1GBA1
SCHEMBL8809486 0.74 PTPN11 (0.48) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL1845477 0.74 ALDH1A1 (0.49) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL10603715 0.71 BLM (0.43) L3MBTL1HTR1A
SCHEMBL1846364 0.71 LMNA (0.42) HSP90AA1MAPTALDH1A1MAPK1KMT2A
SCHEMBL1844792 0.71 POLB (0.43) HSP90AA1MAPTALDH1A1MAPK1GBA1
SCHEMBL1848137 0.69 KDM4E (0.51) ALDH1A1MAPK1KMT2ATSHR
SCHEMBL1848688 0.69 ALDH1A1 (0.37) MAPTALDH1A1MAPK1MEN1KMT2A

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-20230302000-A1 COMBINATION DRUG TREATMENT TO INCREASE NEUROGENESIS FOR NEUROLOGICAL DISORDERS Progenicyte Therapeutics, Inc. (US) 2023-09-28 US disclosed
US-20210046079-A1 COMBINATION THERAPY TO IMPROVE BRAIN FUNCTION OR PROMOTE NEUROGENESIS FOR TREATING NEURODEGENERATIVE CONDITIONS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2021-02-18 US disclosed
EP-1890673-A1 USE OF PYRIMIDINE DERIVATIVES FOR COSMETIC PURPOSES DSMIP Assets B.V. (NL) 2008-02-27 EP disclosed
WO-2006133876-A1 USE OF PYRIMIDINE DERIVATIVES FOR COSMETIC PURPOSES DSM IP ASSETS B.V. (NL) 2006-12-21 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-20210046079-A1 COMBINATION THERAPY TO IMPROVE BRAIN FUNCTION OR PROMOTE NEUROGENESIS FOR TREATING NEURODEGENERATIVE CONDITIONS PSEN1, PSEN2, NES HSP90AA1 2325/4885RET 3019/4885PANK3 1251/4885
US-20230302000-A1 COMBINATION DRUG TREATMENT TO INCREASE NEUROGENESIS FOR NEUROLOGICAL DISORDERS NES, PSEN1, PSEN2 HSP90AA1 1434/4885RET 4419/4885PANK3 2427/4885

“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.