SCHEMBL13636916

SCHEMBL13636916

COc1ccc(I)c(N=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 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
SCHEMBL11933957 0.81 CYP1B1 (0.44) APOBEC3AAPOBEC3GCA12CA1CA2
SCHEMBL14510676 0.80 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL30892213 0.78 CA12 (0.56) APOBEC3GCA12CA1CA2CA7
SCHEMBL12878065 0.78 MPI (0.46) APOBEC3AAPOBEC3GCA12CA1CA2
SCHEMBL12463621 0.78 CA12 (0.56) APOBEC3GCA12CA1CA2CA7
SCHEMBL13686394 0.76 TDP1 (0.41) APOBEC3AAPOBEC3GCA12CA1CA2
SCHEMBL13266801 0.76 OPRD1 (0.42) APOBEC3AAPOBEC3GCA12CA1CA2
SCHEMBL17934217 0.76 AMY1A (0.41) APOBEC3AAPOBEC3GCA12CA1CA2
SCHEMBL1911917 0.76 ERN1 (0.52) APOBEC3AAPOBEC3GCA1CA2MAPT
SCHEMBL12677097 0.76 ALDH1A1 (0.52) APOBEC3AAPOBEC3GCA12CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9689035-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN, INC. (US) 2017-06-27 US disclosed
US-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7538252-B2 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof BIPAR SCIENCES, INC. (US) 2009-05-26 US disclosed
US-20090042820-A1 Tubulin Binding Anti Cancer Agents And Prodrugs Thereof THRESHOLD PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2008-03-27 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 (3 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-20090291924-A1 Drug design for tubulin inhibitors, compositions, and methods of treatment thereof TUBB, TUBA1C, TUBB1 APOBEC3A 4622/4885APOBEC3G 4192/4885CA12 3479/4885
US-20080076737-A1 DRUG DESIGN FOR TUBULIN INHIBITORS, COMPOSITIONS, AND METHODS OF TREATMENT THEREOF TUBB, TUBA1C, TUBB1 APOBEC3A 4622/4885APOBEC3G 4192/4885CA12 3479/4885
US-20090042820-A1 Tubulin Binding Anti Cancer Agents And Prodrugs Thereof TUBB1, TUBB, TUBB6 APOBEC3A 4605/4885APOBEC3G 4673/4885CA12 1522/4885

“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.