SCHEMBL12173074

SCHEMBL12173074

CCn1c(O)c(/N=N/c2cc(Nc3nc(Cl)nc(Nc4ccc(-c5nc6ccc(C)cc6s5)cc4)n3)ccc2S(=O)(=O)O)c(C)c(C(N)=O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ATIC P31939 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 8/20 0.38
▸ MAPT P10636 7/20 0.38
▸ RAB9A P51151 7/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ RORC P51449 3/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36

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
SCHEMBL12189780 0.90 APP (0.42) SMN1; SMN2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL20390575 0.86 FUT8 (0.40) ALDH1A1CYP1A2MAPTRAB9AKDM4E
SCHEMBL13764095 0.84 FUT8 (0.38) ALDH1A1CYP1A2MAPTP2RX3MEN1
SCHEMBL12053415 0.81 FUT8 (0.38) KDM4EP2RX3HTT
SCHEMBL13763511 0.78 CAMK2D (0.31) —
SCHEMBL12646575 0.78 FUT8 (0.38) —
SCHEMBL12173082 0.78 FUT8 (0.38) —
SCHEMBL12189778 0.77 FUT8 (0.39) P2RX3
SCHEMBL10017408 0.77 FUT8 (0.47) ALDH1A1CYP1A2NPC1MAPTRAB9A
SCHEMBL16626829 0.76 FUT8 (0.40) —

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-9403987-B2 Charged particles BASF SE (DE) 2016-08-02 — — US disclosed
US-20120229884-A1 CHARGED PARTICLES BASF SE (DE) 2012-09-13 — — 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-20120229884-A1 CHARGED PARTICLES POLE3, POLD3, IPO4 SMN1; SMN2 1971/4885ALDH1A1 3160/4885HPGD 4101/4885

“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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