SCHEMBL842636

SCHEMBL842636

Cc1nc(Oc2ccccc2)c([N+](=O)[O-])c(NCC(C)C)c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.39
MAPT P10636 6/20 0.39
LMNA P02545 5/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.35
EGFR P00533 1/20 0.35
DPP4 P27487 1/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
RIPK1 Q13546 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL5333576 0.84 MAPT (0.42) PIN1MAPTLMNATP53KMT2A
SCHEMBL4829956 0.83 MAPT (0.41) PIN1MAPTLMNATP53MAPK1
SCHEMBL4773614 0.83 MAPT (0.47) PIN1MAPTLMNATP53MAPK1
SCHEMBL4769141 0.82 POLB (0.40) PIN1MAPTLMNATP53KMT2A
SCHEMBL6216799 0.82 LMNA (0.36) PIN1MAPTLMNATP53L3MBTL1
SCHEMBL4768129 0.81 PIN1 (0.40) PIN1MAPTLMNATP53MAPK1
SCHEMBL4837631 0.81 LMNA (0.38) PIN1MAPTLMNATP53MAPK1
Hydrochloric Acid SCHEMBL4773467 0.81 PIN1 (0.40) PIN1MAPTLMNATP53MAPK1
SCHEMBL4769051 0.81 LMNA (0.37) PIN1MAPTLMNATP53MAPK1
SCHEMBL4765985 0.81 PIN1 (0.39) PIN1MAPTLMNATP53MAPK1

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-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 PIN1 1132/4885MAPT 4419/4885LMNA 4092/4885

“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.