SCHEMBL23787559

SCHEMBL23787559

Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(N)(=O)=O)c5ccccc5c4N)c(C(F)(F)F)c3)cc2C(F)(F)F)cc(S(N)(=O)=O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ THRB P10828 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ ALOX12 P18054 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ APP P05067 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ SNCA P37840 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ENPP2 Q13822 2/20 0.50
▸ GLB1 P16278 1/20 0.50
▸ CHAT P28329 1/20 0.50

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
SCHEMBL23787623 0.89 ALDH1A1 (0.66) ALDH1A1THRBHPGDALOX12RECQL
SCHEMBL23787712 0.84 ALDH1A1 (0.56) ALDH1A1THRBHPGDALOX12RECQL
SCHEMBL23787517 0.82 ALDH1A1 (0.50) ALDH1A1THRBHPGDALOX12RECQL
SCHEMBL23787546 0.82 ALDH1A1 (0.53) ALDH1A1THRBHPGDALOX12RECQL
SCHEMBL23787656 0.81 ALDH1A1 (0.77) ALDH1A1THRBHPGDALOX12RECQL
SCHEMBL23787660 0.81 ALDH1A1 (0.56) ALDH1A1THRBHPGDALOX12RECQL
SCHEMBL13856934 0.79 APP (0.78) ALDH1A1THRBHPGDALOX12RECQL
SCHEMBL23787622 0.79 APP (0.78) ALDH1A1THRBHPGDALOX12RECQL
SCHEMBL23787657 0.79 ALDH1A1 (0.57) ALDH1A1THRBHPGDALOX12RECQL
SCHEMBL23787711 0.78 THRB (0.59) ALDH1A1THRBHPGDALOX12RECQL

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-20210275548-A1 NOVEL DNA POLYMERASE GAMMA INHIBITOR AND USES THEREOF ACIBADEM MEHMET ALI AYDINLAR UNIVERSITESI (TR) 2021-09-09 — — 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-20210275548-A1 NOVEL DNA POLYMERASE GAMMA INHIBITOR AND USES THEREOF POLG, POLB, POLA1 ALDH1A1 3745/4885THRB 2774/4885HPGD 1140/4885

“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.

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