SCHEMBL7045291

SCHEMBL7045291

O=C1CC=Cc2c1cnc1ccc3ccccc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 2/20 0.33
DNMT1 P26358 1/20 0.33
GPR3 P46089 1/20 0.33
MET P08581 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL23120251 0.81 KDM4E (0.38) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL457599 0.80 TYMS (0.37) TYMSMAPTLMNANPC1RAB9A
SCHEMBL7049654 0.77 HPGD (0.42) MAPTLMNARAB9ASMN1; SMN2TDP1
SCHEMBL29563614 0.76 ALDH1A1 (0.41) MAPTLMNANPC1SMN1; SMN2TDP1
SCHEMBL3258162 0.76 ALDH1A1 (0.41) MAPTLMNANPC1SMN1; SMN2TDP1
SCHEMBL29181691 0.72 ALDH1A1 (0.49) LMNATDP1L3MBTL1MEN1KMT2A
SCHEMBL15994595 0.71 TDP1 (0.39) TYMSLMNARAB9ATDP1L3MBTL1
SCHEMBL28581997 0.70 KDM4E (0.38) SMN1; SMN2KDM4EGPR3
SCHEMBL31684807 0.69 KDM4E (0.59) TYMSMAPTLMNANPC1RAB9A
SCHEMBL159416 0.69 KDM4E (0.59) TYMSMAPTLMNANPC1RAB9A

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-6800634-B2 ANTICANCER AGENTS ICONIX PHARMACEUTICALS INC. 2004-10-05 US disclosed
US-20030171390-A1 Modulators of Rho C activity ENTELOS HOLDING CORP. 2003-09-11 US disclosed
WO-2003043582-A2 MODULATORS OF RHO C ACTIVITY ICONIX PHARMACEUTICALS, INC. (US) 2003-05-30 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 (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-20030171390-A1 Modulators of Rho C activity RHOC, ARHGEF1, ROCK1 TYMS 4643/4885MAPT 4272/4885LMNA 1790/4885

“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.