SCHEMBL2816780

SCHEMBL2816780

NC(=O)c1nc(Cc2ccc(O)cc2)[nH]c1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACR P10323 4/20 0.51
MAPT P10636 5/20 0.48
TP53 P04637 1/20 0.48
SNCA P37840 3/20 0.45
ALPL P05186 3/20 0.43
CA12 O43570 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MME P08473 1/20 0.41

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
SCHEMBL2816774 0.93 ACR (0.51) ACRMAPTTP53ALPLCA12
SCHEMBL2812307 0.88 MAPT (0.47) ACRMAPTTP53ALPLCA12
SCHEMBL2812309 0.88 MAPT (0.49) ACRMAPTTP53ALPLCA12
SCHEMBL25718600 0.77 DEGS1 (0.50) HDAC3HDAC1HDAC2HDAC6
SCHEMBL20764249 0.76 ACR (0.69) ACRMAPTTP53SNCAALPL
SCHEMBL11480985 0.72 CHEK2 (0.43) MAPT
SCHEMBL25228655 0.71 PDCD1 (0.45) MAPTHDAC6
SCHEMBL20764247 0.70 ACR (0.74) ACRMAPTSNCAALPLCA12
SCHEMBL2846632 0.70 ALPL (0.73) ACRMAPTTP53ALPLCA12
SCHEMBL17957235 0.69 CA12 (0.41) MAPTCA12HDAC1HDAC6

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-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed

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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 ACR 3738/4885MAPT 3810/4885TP53 68/4885

“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.