SCHEMBL3190345

SCHEMBL3190345

c1cc2cn[nH]c2cc1N1CC2CCCCC2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
APAF1 O14727 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
IP6K1 Q92551 2/20 0.44
IP6K3 Q96PC2 2/20 0.44
NOS1 P29475 3/20 0.42
DYRK1A Q13627 2/20 0.42
METAP2 P50579 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
JAK2 O60674 3/20 0.42
ROCK2 O75116 3/20 0.42
GSK3B P49841 3/20 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
SCHEMBL3204329 0.88 ROCK2 (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL29039315 0.80 NOS1 (0.49) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL30385421 0.80 NOS1 (0.49) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL30837522 0.79 NOS1 (0.52) MAPTKDM4EMEN1KMT2ANOS1
SCHEMBL30469212 0.78 TERT (0.53) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL15515585 0.78 ROCK2 (0.51) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL18399080 0.77 ABL1 (0.48) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL5094880 0.76 HTR6 (0.45) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL4590692 0.74 ALDH1A1 (0.47) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL18399012 0.74 SYK (0.59) MAPTKDM4EMEN1KMT2ANOS1

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-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 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-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 MAPT 4124/4885KDM4E 876/4885MEN1 1676/4885

“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.