SCHEMBL22601485

SCHEMBL22601485

O=[N+]([O-])c1c(I)c2ccccc2c2c1sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.38
▸ S100A4 P26447 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ GPR3 P46089 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HCRTR1 O43613 1/20 0.33

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
SCHEMBL22601489 0.88 LMNA (0.41) TNKSTNKS2KMT2AMAPTLMNA
SCHEMBL22601481 0.85 CYP3A4 (0.35) TNKSTNKS2KMT2AMAPTLMNA
SCHEMBL3466137 0.81 KMT2A (0.44) TNKSTNKS2KMT2AMAPTLMNA
SCHEMBL25873153 0.75 ALDH1A1 (0.39) TNKSTNKS2KMT2AMAPTLMNA
SCHEMBL15954596 0.74 MAPT (0.45) TNKSTNKS2KMT2AMAPTLMNA
SCHEMBL25873100 0.72 TSHR (0.39) TNKSTNKS2KMT2AMAPTLMNA
SCHEMBL17689841 0.72 GPR3 (0.57) TNKSTNKS2KMT2AMAPTMEN1
SCHEMBL16218710 0.72 CYP3A4 (0.44) TNKSTNKS2KMT2AMAPTLMNA
SCHEMBL27749596 0.71 CYP3A4 (0.42) KMT2AMAPTLMNAMEN1HPGD
SCHEMBL12424994 0.70 TNKS (0.41) TNKSTNKS2KMT2AMAPTLMNA

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-11706982-B2 Fused polycyclic compound, and preparation method and use thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-07-18 — — US disclosed
US-20200343456-A1 Fused Polycyclic Compound, and Preparation Method and Use Thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2020-10-29 — — 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 (2 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-20200343456-A1 Fused Polycyclic Compound, and Preparation Method and Use Thereof INTS9, INF2, CYBA TNKS 2827/4885TNKS2 2907/4885KMT2A 3126/4885
US-11706982-B2 Fused polycyclic compound, and preparation method and use thereof INF2, INTS9, PYM1 TNKS 2686/4885TNKS2 2754/4885KMT2A 3214/4885

“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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