SCHEMBL10244867

SCHEMBL10244867

CCn1cc(CC#N)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
TBXAS1 P24557 1/20 0.50
PRMT5 O14744 1/20 0.48
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
PADI4 Q9UM07 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
NR4A2 P43354 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ICMT O60725 1/20 0.41
BRCA1 P38398 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL28247078 0.83 PRMT5 (0.48) TBXAS1PRMT5USP2TSHRMEN1
SCHEMBL274052 0.81 KMT2A (0.63) CYP19A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL10654844 0.80 CYP19A1 (0.56) CYP19A1TBXAS1PADI4MEN1KMT2A
SCHEMBL18683661 0.80 GPR84 (0.60) CYP19A1TBXAS1USP2PADI4MEN1
SCHEMBL30958471 0.79 GPR84 (0.65) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL5645566 0.79 GPR84 (0.65) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL5469549 0.79 CYP19A1 (0.59) CYP19A1TBXAS1PADI4MEN1KMT2A
SCHEMBL444328 0.78 STAT3 (0.65) TBXAS1MEN1KMT2AMAPTALDH1A1
SCHEMBL1092646 0.78 CYP19A1 (0.51) CYP19A1TBXAS1PADI4MEN1KMT2A
SCHEMBL419619 0.78 MAPT (0.70) TSHRMEN1KMT2AMAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 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 (1 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CYP19A1 2208/4885TBXAS1 3957/4885PRMT5 642/4885

“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.