SCHEMBL3395864

SCHEMBL3395864

NC(=O)c1nc(Nc2cccnc2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.62
CYP11B2 P19099 1/20 0.62
TNIK Q9UKE5 13/20 0.58
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3393673 0.87 TNIK (0.67) TNIKMAPTLMNATP53POLB
SCHEMBL3392639 0.86 TNIK (0.62) CYP11B1CYP11B2TNIKMAPTLMNA
SCHEMBL3393245 0.84 TNIK (0.70) TNIKMAPTLMNATP53POLB
SCHEMBL3394571 0.83 TNIK (0.69) TNIKMAPTLMNATP53POLB
SCHEMBL3392602 0.82 TNIK (0.58) TNIKMAPTLMNATP53POLB
SCHEMBL3393595 0.82 TNIK (0.72) TNIKMAPTLMNATP53POLB
SCHEMBL3394585 0.81 TNIK (0.53) TNIKMAPTLMNATP53POLB
SCHEMBL3393502 0.80 TNIK (0.66) TNIKMAPTLMNATP53POLB
SCHEMBL2366821 0.80 TNIK (0.66) TNIKMAPTLMNATP53POLB
SCHEMBL3398481 0.80 TNIK (0.72) TNIKMAPTLMNATP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364149-B1 TNIK INHIBITOR AND THE USE NAT CANCER CT (JP) 2014-05-07 EP disclosed
US-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 US disclosed
US-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 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-20100216795-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 CYP11B1 4768/4885CYP11B2 4138/4885TNIK 1/4885

“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.