SCHEMBL1050286

SCHEMBL1050286

C=CCCCCc1c(C)c(C)cc(N)c1N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.31
TLR8 Q9NR97 1/20 0.31
IMPDH2 P12268 1/20 0.30

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
SCHEMBL1083389 0.77 SKP2 (0.41) ALDH1A1TDP1
SCHEMBL12802080 0.71 ALDH1A1 (0.36) USP2ALDH1A1HPGDTDP1TSHR
SCHEMBL17923095 0.69 TSHR (0.41) USP2ALDH1A1HPGDTDP1ALOX15
Hydrochloric Acid SCHEMBL1567860 0.68 ALDH1A1 (0.36) ALDH1A1TDP1TLR8
SCHEMBL12802125 0.67 TSHR (0.36) USP2ALDH1A1HPGDTDP1TSHR
SCHEMBL12958717 0.66 PRSS1 (0.36) ALDH1A1ALOX15TSHR
SCHEMBL4828210 0.65 KDM4E (0.32)
SCHEMBL12802111 0.65 HRH3 (0.41) USP2ALDH1A1HPGDTDP1TSHR
SCHEMBL27603659 0.65 SKP2 (0.42) ALDH1A1HPGDTDP1TSHR
SCHEMBL8043350 0.64 CRHR1 (0.33) TSHR

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
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS USP2 3808/4885ALDH1A1 807/4885HPGD 371/4885

“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.