SCHEMBL7799774

SCHEMBL7799774

O=C(O)c1cccc2nc3ccc4ccncc4c3nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
STING1 Q86WV6 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
MAPK10 P53779 1/20 0.39
RAD52 P43351 1/20 0.38
TNF P01375 1/20 0.38
DHODH Q02127 3/20 0.37
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL5886390 0.82 ALDH1A1 (0.68) ALDH1A1NR4A1NR4A2NR4A3RAD52
SCHEMBL5886430 0.79 ALDH1A1 (0.58) ALDH1A1PIM1NR4A1NR4A2NR4A3
SCHEMBL5886293 0.78 ALDH1A1 (0.70) ALDH1A1NR4A1NR4A2NR4A3RAD52
SCHEMBL7801620 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AKDM6B
SCHEMBL31522172 0.77 NR4A1 (0.60) ALDH1A1CSNK2A2CSNK2BPIM1PIM2
SCHEMBL2223329 0.77 NR4A1 (0.60) ALDH1A1CSNK2A2CSNK2BPIM1PIM2
Hydrochloric Acid SCHEMBL29816682 0.76 NR4A1 (0.58) ALDH1A1CSNK2A2CSNK2BPIM1PIM2
SCHEMBL30771576 0.76 NR4A1 (0.58) ALDH1A1CSNK2A2CSNK2BPIM1PIM2
SCHEMBL5886363 0.75 ALDH1A1 (0.56) ALDH1A1PIM1KDM4EMEN1KMT2A
SCHEMBL5886496 0.75 ALDH1A1 (0.52) ALDH1A1CSNK2A2CSNK2BPIM1PIM2

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-20010034346-A1 Pharmaceutical compounds XENOVA LIMITED, BRITISH BODY CORPORATE (GB) 2001-10-25 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-20010034346-A1 Pharmaceutical compounds TOP1, ABCC1, TOP2A ALDH1A1 461/4885CSNK2A2 421/4885CSNK2B 494/4885

“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.