SCHEMBL29469481

SCHEMBL29469481

COC(=O)c1nc(Br)ccc1NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
GFER P55789 1/20 0.48
POLB P06746 5/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
S1PR3 Q99500 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL22660238 1.00 KMT2A (0.48) KMT2AMEN1GFERPOLBALDH1A1
SCHEMBL27075271 0.78 ALDH1A1 (0.43) KMT2AMEN1POLBALDH1A1NPSR1
SCHEMBL22660263 0.76 KMT2A (0.53) KMT2AMEN1GFERPOLBALDH1A1
SCHEMBL29469483 0.76 KMT2A (0.53) KMT2AMEN1GFERPOLBALDH1A1
SCHEMBL29469505 0.76 TACR1 (0.40) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL22660327 0.76 TACR1 (0.40) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL22660771 0.75 ALDH1A1 (0.68) KMT2AMEN1GFERPOLBALDH1A1
SCHEMBL4772581 0.75 HPGD (0.42) KMT2AMEN1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL27033930 0.73 KMT2A (0.41) KMT2AMEN1POLBALDH1A1NPSR1
SCHEMBL388845 0.69 NPSR1 (0.50) KMT2AMEN1GFERPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206443-B Aromatic or heteroaromatic ring derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-02-09 CN disclosed
US-20220227699-A1 AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2022-07-21 US disclosed
CN-114206443-A Aromatic ring or heteroaromatic ring derivative and preparation method and application thereof 浙江海正药业股份有限公司 2022-03-18 CN 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-20220227699-A1 AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF AGTR2, AGTR1, AVPR2 KMT2A 2138/4885MEN1 2236/4885GFER 395/4885

“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.