SCHEMBL3413679

SCHEMBL3413679

CC1(c2ccccc2)NC(=O)N(C(=O)C=Cc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
BCHE P06276 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.42
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ENPP3 O14638 1/20 0.41
ALPL P05186 1/20 0.41
XIAP P98170 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
GAA P10253 1/20 0.40
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL3413674 1.00 ALDH1A1 (0.49) ALDH1A1BCHEHDAC6MEN1KMT2A
SCHEMBL3410772 0.88 MAOB (0.44) ALDH1A1HDAC6HDAC3HDAC1HDAC2
SCHEMBL3407865 0.88 MAOB (0.44) ALDH1A1HDAC6HDAC3HDAC1HDAC2
SCHEMBL3413189 0.86 MAPT (0.47) ALDH1A1HDAC6MEN1KMT2ATDP1
SCHEMBL3408917 0.81 AR (0.39) ALDH1A1
SCHEMBL6285224 0.68 ALDH1A1 (0.47) ALDH1A1BCHEHDAC6MEN1KMT2A
SCHEMBL3387075 0.67 ALDH1A1 (0.60) ALDH1A1HDAC6MEN1KMT2APOLB
SCHEMBL17622984 0.67 KMT2A (0.73) ALDH1A1HDAC6MEN1KMT2APOLB
SCHEMBL571502 0.66 ALDH1A1 (0.64) ALDH1A1HDAC6MEN1KMT2APOLB
SCHEMBL12601424 0.64 ALDH1A1 (0.62) ALDH1A1HDAC6MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063118-A1 Hydantoins Having RNase Modulatory Activity WYETH (US) 2010-03-11 US claimed
WO-2005090316-A1 HYDANTOINS HAVING RNase MODULATORY ACTIVITY WYETH (US) 2005-09-29 WO claimed
US-20050203156-A1 Hydantoins having RNase modulatory activity WYETH (US) 2005-09-15 US claimed
US-20100063118-A1 Hydantoins Having RNase Modulatory Activity WYETH (US) 2010-03-11 US disclosed
WO-2005090316-A1 HYDANTOINS HAVING RNase MODULATORY ACTIVITY WYETH (US) 2005-09-29 WO disclosed
US-20050203156-A1 Hydantoins having RNase modulatory activity WYETH (US) 2005-09-15 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 (2 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-20100063118-A1 Hydantoins Having RNase Modulatory Activity RNASEH1, RNASE1, RNASEL ALDH1A1 1439/4885BCHE 825/4885HDAC6 572/4885
US-20050203156-A1 Hydantoins having RNase modulatory activity RNASEH1, RNASE1, RNASEL ALDH1A1 1439/4885BCHE 825/4885HDAC6 572/4885

“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.