SCHEMBL21025561

SCHEMBL21025561

CC(C)(C)c1ccc2c(=O)n(CCS(C)(=O)=O)cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TNF P01375 1/20 0.42
DDR1 Q08345 7/20 0.42
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38

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
SCHEMBL20808753 0.83 MAPT (0.49) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL20809184 0.82 LMNA (0.46) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL22393621 0.79 MEN1 (0.48) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL15228839 0.78 SMN1; SMN2 (0.56) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL21025688 0.78 NR1I2 (0.39) SMN1; SMN2TNFDDR1LMNAALDH1A1
SCHEMBL25111597 0.78 L3MBTL1 (0.46) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL21025403 0.75 KMT2A (0.60) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL15228755 0.72 CYP1A2 (0.59) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL21025689 0.71 BTK (0.39) KMT2APOLBRAB9A
SCHEMBL21024982 0.69 PGR (0.41) MAPTSMN1; SMN2TNFALDH1A1GAA

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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 MEN1 2449/4885KMT2A 751/4885POLB 4281/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 MEN1 2449/4885KMT2A 751/4885POLB 4281/4885

“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.