SCHEMBL6472503

SCHEMBL6472503

Cc1cnc(NC2(C(N)=O)CCCCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.44
HDAC1 Q13547 15/20 0.44
HDAC2 Q92769 15/20 0.44
HDAC6 Q9UBN7 15/20 0.44
P2RX7 Q99572 2/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
VNN1 O95497 1/20 0.33
BTD P43251 1/20 0.33

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
SCHEMBL25418572 0.82 P2RX7 (0.44) HDAC3HDAC1HDAC2HDAC6P2RX7
SCHEMBL25418744 0.77 P2RX7 (0.42) HDAC3HDAC1HDAC2HDAC6P2RX7
SCHEMBL6472291 0.77 KMT2A (0.40) P2RX7MAPTRAB9A
SCHEMBL5533343 0.73 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC6
SCHEMBL6472501 0.72 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6P2RX7
SCHEMBL20340463 0.68 SCN10A (0.40) HDAC6P2RX7
SCHEMBL2542108 0.67 CYP1A2 (0.50)
SCHEMBL193633 0.67 FPR2 (0.48) P2RX7RAB9A
SCHEMBL17005755 0.67 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL30801504 0.67 HDAC1 (0.68) HDAC3HDAC1HDAC2HDAC6VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 HDAC3 2899/4885HDAC1 3559/4885HDAC2 2918/4885

“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.