SCHEMBL2749532

SCHEMBL2749532

O=C(NC1CC[N]C1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
HSD11B1 P28845 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.41
EPHX2 P34913 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
CCR2 P41597 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL664057 0.90 POLB (0.48) L3MBTL1TSHRHTTALDH1A1EPHX2
SCHEMBL5076 0.90 POLB (0.48) L3MBTL1TSHRHTTALDH1A1EPHX2
SCHEMBL667268 0.90 POLB (0.48) L3MBTL1TSHRHTTALDH1A1EPHX2
SCHEMBL5110596 0.89 L3MBTL1 (0.50) HDAC8HDAC6L3MBTL1TSHRHSD11B1
SCHEMBL24383446 0.78 MAPT (0.64) HDAC8HDAC6L3MBTL1TSHRMAPT
SCHEMBL24383312 0.78 MAPT (0.64) HDAC8HDAC6L3MBTL1TSHRMAPT
SCHEMBL23946129 0.78 MAPT (0.64) HDAC8HDAC6L3MBTL1TSHRMAPT
SCHEMBL24606366 0.78 MAPT (0.64) HDAC8HDAC6L3MBTL1TSHRMAPT
SCHEMBL23946128 0.78 MAPT (0.64) HDAC8HDAC6L3MBTL1TSHRMAPT
SCHEMBL24202656 0.78 MAPT (0.64) HDAC8HDAC6L3MBTL1TSHRMAPT

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
EP-2465504-A1 Novel 2,3-diamino-quinazolinone derivatives and their medical use NeuroSearch A/S (DK) 2012-06-20 EP disclosed
US-8178544-B2 2, 3-diamino-quinazolinone derivatives and their medical use NEUROSEARCH A/S (DK) 2012-05-15 US disclosed
US-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEURO SEARCH A/S (DK) 2010-06-24 US disclosed
EP-2152272-A2 NOVEL 2,3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2010-02-17 EP disclosed
WO-2008142140-A2 NOVEL 2,3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2008-11-27 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-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE KCNJ2, KCNN3, KCNK17 HDAC8 2228/4885HDAC6 709/4885L3MBTL1 4459/4885

“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.