SCHEMBL801031

SCHEMBL801031

CC(NC(=O)OC(C)(C)C)c1nc(C(=O)NC(C)c2nc(C(=O)O)co2)co1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.49
KMT2A Q03164 2/20 0.46
TSHR P16473 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ATM Q13315 2/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCB1 P08183 2/20 0.39
LMNA P02545 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL800492 0.96 KMT2A (0.49) C3AR1KMT2ATSHRHSD17B10ATM
SCHEMBL800915 0.89 C3AR1 (0.46) C3AR1KMT2ATSHRHSD17B10ATM
SCHEMBL800750 0.89 C3AR1 (0.46) C3AR1KMT2ATSHRHSD17B10ATM
SCHEMBL800759 0.85 KMT2A (0.42) C3AR1KMT2ATSHRHSD17B10ATM
SCHEMBL800494 0.85 KMT2A (0.48) C3AR1KMT2ATSHRHSD17B10ATM
SCHEMBL3511397 0.85 KMT2A (0.48) C3AR1KMT2ATSHRHSD17B10ATM
SCHEMBL800480 0.84 C3AR1 (0.49) C3AR1KMT2ATSHRHSD17B10ATM
SCHEMBL15214453 0.83 C3AR1 (0.43) C3AR1KMT2ATSHRHSD17B10ATM
SCHEMBL3510632 0.80 KMT2A (0.51) C3AR1KMT2ATSHRHSD17B10ATM
SCHEMBL3510634 0.80 KMT2A (0.51) C3AR1KMT2ATSHRHSD17B10ATM

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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 (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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 C3AR1 2841/4885KMT2A 1663/4885TSHR 1697/4885

“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.