SCHEMBL22601482

SCHEMBL22601482

Bc1cccc2c1sc1c3ccccc3c(I)c([N+](=O)[O-])c21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.35
▸ S100A4 P26447 1/20 0.34
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ MAPT P10636 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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 0.81 LMNA (0.41) CYP3A4S100A4TSHRALDH1A1TDP1
SCHEMBL22601374 0.74 MAPT (0.35) CYP3A4S100A4TSHRALDH1A1TDP1
SCHEMBL22601485 0.70 TNKS (0.41) CYP3A4S100A4TSHRALDH1A1TDP1
SCHEMBL22601481 0.69 CYP3A4 (0.35) CYP3A4S100A4MAPTLMNAPOLB
SCHEMBL22601486 0.66 — —
SCHEMBL11624645 0.65 S100A4 (0.48) CYP3A4S100A4TSHRALDH1A1TDP1
SCHEMBL25873158 0.64 LMNA (0.47) CYP3A4ALDH1A1MAPTLMNAPOLB
SCHEMBL1687993 0.63 GPR3 (0.54) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL15945929 0.62 CYP1B1 (0.46) CYP3A4TSHRALDH1A1TDP1HPGD
SCHEMBL3466137 0.62 KMT2A (0.44) CYP3A4S100A4TSHRALDH1A1MAPT

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-20200343456-A1 Fused Polycyclic Compound, and Preparation Method and Use Thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2020-10-29 — — US disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 — — 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 CYP3A4 265/4885S100A4 1936/4885TSHR 4200/4885
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK CYP3A4 3999/4885S100A4 864/4885TSHR 1493/4885

“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.

Send feedback