SCHEMBL22601489

SCHEMBL22601489

O=[N+]([O-])c1c(I)c2ccccc2c2sc3ccccc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TNKS O95271 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ S100A4 P26447 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GPR3 P46089 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CDK4 P11802 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
SCHEMBL22601485 0.88 TNKS (0.41) LMNAMAPTKMT2APOLBHPGD
SCHEMBL22601482 0.81 CYP3A4 (0.35) LMNAMAPTKMT2APOLBHPGD
SCHEMBL3466137 0.81 KMT2A (0.44) LMNAMAPTKMT2APOLBHPGD
SCHEMBL25873178 0.75 ALDH1A1 (0.39) LMNAMAPTKMT2APOLBHPGD
SCHEMBL22601481 0.74 CYP3A4 (0.35) LMNAMAPTKMT2APOLBHPGD
SCHEMBL19109094 0.72 GPR3 (0.57) MAPTKMT2APOLBHPGDMEN1
SCHEMBL16218719 0.72 CYP3A4 (0.44) LMNAMAPTKMT2APOLBHPGD
SCHEMBL22601474 0.71 CYP3A4 (0.40) LMNAMAPTKMT2APOLBHPGD
SCHEMBL15954596 0.71 MAPT (0.45) LMNAMAPTKMT2APOLBHPGD
SCHEMBL27749596 0.71 CYP3A4 (0.42) LMNAMAPTKMT2APOLBHPGD

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 LMNA 389/4885MAPT 1059/4885KMT2A 3126/4885
US-11706982-B2 Fused polycyclic compound, and preparation method and use thereof INF2, INTS9, PYM1 LMNA 413/4885MAPT 955/4885KMT2A 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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