SCHEMBL13836612

SCHEMBL13836612

O=C(Nc1cc(-c2nc3ccc(-c4cccc(O)c4)cc3[nH]2)c2cc[nH]c2c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.52
MMP9 P14780 4/20 0.52
MMP8 P22894 4/20 0.52
MMP13 P45452 4/20 0.52
COMT P21964 2/20 0.52
NR2E3 Q9Y5X4 2/20 0.49
MAPT P10636 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 3/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
CHEK2 O96017 1/20 0.48
MAPK1 P28482 1/20 0.46
HPSE Q9Y251 1/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL13836573 0.93 MMP2 (0.52) MMP2MMP9MMP8MMP13COMT
SCHEMBL13836408 0.86 COMT (0.54) MMP2MMP9MMP8MMP13COMT
SCHEMBL8771434 0.81 MAPT (0.54) MMP2MMP9MMP8MMP13COMT
SCHEMBL28805587 0.79 KDM4E (0.40) MMP2MMP9MMP8RAB9AKDM4E
SCHEMBL13836613 0.78 PARP1 (0.49) CHEK2
SCHEMBL8771549 0.76 DGAT1 (0.62) MMP2MMP9MMP8MMP13COMT
SCHEMBL26597177 0.74 MMP2 (0.76) MMP2MMP9MMP8MMP13COMT
SCHEMBL30667671 0.74 MMP2 (0.76) MMP2MMP9MMP8MMP13COMT
Hydrochloric Acid SCHEMBL19149753 0.73 MMP2 (0.74) MMP2MMP9MMP8MMP13COMT
SCHEMBL27936942 0.72 CHEK2 (0.38) RAB9AKDM4ENPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL MMP2 2911/4885MMP9 4364/4885MMP8 1058/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MMP2 3334/4885MMP9 3464/4885MMP8 412/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MMP2 3334/4885MMP9 3464/4885MMP8 412/4885

“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.