SCHEMBL13349444

SCHEMBL13349444

COc1ccc(C(Br)Br)c(N=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2A6 P11509 1/20 0.34

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
SCHEMBL13767210 0.77 USP8 (0.35) APOBEC3AAPOBEC3GMAPTMEN1ALDH1A1
SCHEMBL11143567 0.77 CYP2D6 (0.44) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL11933957 0.77 CYP1B1 (0.44) APOBEC3AAPOBEC3GMAPTMEN1ALDH1A1
SCHEMBL13266801 0.76 OPRD1 (0.42) APOBEC3AAPOBEC3GMAPTMEN1ALDH1A1
SCHEMBL13848549 0.73 HTT (0.35) APOBEC3AAPOBEC3GMAPTMEN1ALDH1A1
SCHEMBL14095369 0.73 ALDH1A1 (0.42) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL12878065 0.73 MPI (0.46) APOBEC3AAPOBEC3GMAPTALDH1A1KDM4E
SCHEMBL30892213 0.73 CA12 (0.56) APOBEC3GMAPTMEN1ALDH1A1KMT2A
SCHEMBL12463621 0.73 CA12 (0.56) APOBEC3GMAPTMEN1ALDH1A1KMT2A
SCHEMBL6209642 0.73 KDM4E (0.41) MAPTMEN1ALDH1A1KMT2AKDM4E

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-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 — — 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-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 APOBEC3A 4591/4885APOBEC3G 4609/4885MAPT 3821/4885

“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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