SCHEMBL22601474

SCHEMBL22601474

Bc1cc(-c2c([N+](=O)[O-])c3c4ccccc4sc3c3ccccc23)c2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.40
▸ CASP6 P55212 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ TNKS O95271 1/20 0.30
▸ TNKS2 Q9H2K2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25873178 0.84 ALDH1A1 (0.39) CYP3A4LMNAPOLBHPGDMEN1
SCHEMBL16218719 0.79 CYP3A4 (0.44) CYP3A4CASP6LMNAPOLBHPGD
SCHEMBL16218710 0.76 CYP3A4 (0.44) CYP3A4CASP6LMNAPOLBHPGD
SCHEMBL25873153 0.75 ALDH1A1 (0.39) CYP3A4LMNAPOLBHPGDMEN1
SCHEMBL15126735 0.73 S100A4 (0.41) CYP3A4LMNAPOLBHPGDMEN1
SCHEMBL25873092 0.71 MAPT (0.39) CYP3A4LMNAPOLBHPGDMEN1
SCHEMBL22601489 0.71 LMNA (0.41) CYP3A4LMNAPOLBHPGDMEN1
SCHEMBL15127056 0.70 S100A4 (0.41) CYP3A4LMNAPOLBHPGDMEN1
SCHEMBL3466137 0.70 KMT2A (0.44) CYP3A4LMNAPOLBHPGDMEN1
SCHEMBL16218713 0.69 PARP14 (0.43) CYP3A4LMNAPOLBHPGDMEN1

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 265/4885CASP6 1094/4885LMNA 389/4885
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK CYP3A4 3999/4885CASP6 4070/4885LMNA 645/4885

“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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