SCHEMBL31070302

SCHEMBL31070302

O=c1[nH]c(I)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 9/20 0.61
PARP1 P09874 5/20 0.61
QTRT1 Q9BXR0 1/20 0.61
TNKS O95271 7/20 0.59
PKM P14618 1/20 0.56
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53

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
SCHEMBL6695759 0.79 TNKS2 (0.81) TNKS2PARP1QTRT1TNKSPKM
SCHEMBL103994 0.76 QTRT1 (1.00) TNKS2PARP1QTRT1TNKSPKM
Benzoylenurea SCHEMBL5110914 0.76 TNKS2 (0.61) TNKS2PARP1QTRT1TNKSPKM
SCHEMBL29419642 0.76 TNKS2 (0.61) TNKS2PARP1QTRT1TNKSPKM
SCHEMBL146025 0.76 TNKS2 (0.61) TNKS2PARP1QTRT1TNKSPKM
SCHEMBL1772523 0.76 TNKS2 (0.61) TNKS2PARP1QTRT1TNKSPKM
SCHEMBL894736 0.76 TNKS2 (0.61) TNKS2PARP1QTRT1TNKSPKM
SCHEMBL22021640 0.76 TNKS2 (0.61) TNKS2PARP1QTRT1TNKSPKM
SCHEMBL22807316 0.76 TNKS2 (0.61) TNKS2PARP1QTRT1TNKSPKM
SCHEMBL29551160 0.76 TNKS2 (0.61) TNKS2PARP1QTRT1TNKSPKM

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-20250123285-A1 Organotellurium Compounds, Compositions and Methods of Use Thereof UNIVERSITY HEALTH NETWORK (CA) 2025-04-17 US disclosed
CN-118359548-A Preparation method of benzodiazepine compound 重庆医科大学 2024-07-19 CN 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-20250123285-A1 Organotellurium Compounds, Compositions and Methods of Use Thereof ACHE, AS3MT, CHAT TNKS2 4100/4885PARP1 4255/4885QTRT1 659/4885

“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.