SCHEMBL659943

SCHEMBL659943

CCOC(=O)C(Cc1c[nH]c2ccccc12)NCCN

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
TP53 P04637 2/20 0.57
LMNA P02545 1/20 0.57
THRB P10828 1/20 0.57
MMP2 P08253 1/20 0.56
MMP3 P08254 1/20 0.56
PKM P14618 1/20 0.54
TACR1 P25103 7/20 0.53
KDM4E B2RXH2 1/20 0.52
APAF1 O14727 1/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NMBR P28336 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HCRTR1 O43613 1/20 0.51
ACE P12821 1/20 0.50

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
SCHEMBL6264591 0.87 BCHE (0.56) MAPTTP53LMNATHRBMMP2
SCHEMBL7201043 0.84 KDM4E (0.61) MAPTLMNAMMP2KDM4EAPAF1
SCHEMBL9594574 0.84 MMP2 (0.63) MAPTTP53LMNATHRBMMP2
SCHEMBL12992803 0.84 MAPT (0.62) MAPTTP53LMNATHRBMMP2
SCHEMBL13940115 0.84 MAPT (0.62) MAPTTP53LMNATHRBMMP2
SCHEMBL28174733 0.84 KCNT1 (0.64) MAPTTP53LMNATHRBMMP2
Hydrochloric Acid SCHEMBL5385683 0.83 MMP2 (0.62) MAPTTP53LMNATHRBMMP2
Hydrochloric Acid SCHEMBL5385686 0.83 MMP2 (0.62) MAPTTP53LMNATHRBMMP2
SCHEMBL24590211 0.82 MMP2 (0.61) MAPTTP53LMNATHRBMMP2
SCHEMBL3185689 0.82 TACR1 (0.74) MAPTTP53LMNATHRBMMP2

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-20120046246-A1 METHODS FOR TREATING OSTEOCLAST-RELATED DISEASE, COMPOUNDS AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-02-23 US disclosed
WO-2010071826-A2 METHODS FOR TREATING OSTEOCLAST-RELATED DISEASE, COMPOUNDS AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-24 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-20120046246-A1 METHODS FOR TREATING OSTEOCLAST-RELATED DISEASE, COMPOUNDS AND COMPOSITIONS THEREOF CTSB, SOST, CTSG MAPT 3657/4885TP53 3867/4885LMNA 1220/4885

“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.