SCHEMBL22273612

SCHEMBL22273612

N#Cc1cc(NCc2ccccc2)ccc1N1C(=O)CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOA P21397 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HSD17B3 P37058 1/20 0.39
POLB P06746 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HTR2A P28223 1/20 0.38
HTR6 P50406 1/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL29564372 0.75 KDM4E (0.56) KDM4EHPGDTSHRHSD17B10ALDH1A1
SCHEMBL22273614 0.71 KDM4E (0.51) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL22273578 0.71 KDM4E (0.53) KDM4EHPGDTSHRHSD17B10ALDH1A1
SCHEMBL22273618 0.71 MAP3K8 (0.53) KDM4EHPGDTSHRHSD17B10ALDH1A1
SCHEMBL29564114 0.70 NR3C1 (0.45) ALDH1A1GAAPOLB
SCHEMBL22273613 0.70 NR3C1 (0.45) ALDH1A1GAAPOLB
SCHEMBL28296408 0.70 LTA4H (0.43) KDM4EHPGDHSD17B10BRD4ALDH1A1
Ethoxycarbonyl Group SCHEMBL28296409 0.69 ALDH1A1 (0.41) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL29563987 0.67 ALDH1A1 (0.66) ALDH1A1GAAPOLBMAPTTDP1
SCHEMBL3278560 0.65 GAA (0.57) HPGDTSHRALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993576-B2 N-benzyl-N-arylsulfonamide derivative and preparation and use thereof HANGZHOU YIRUI PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2024-05-28 US disclosed
US-20220089555-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF HANGZHOU YIRUI PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2022-03-24 US disclosed
EP-3915978-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF Hangzhou Yirui Pharmaceutical Technology Co., Ltd (CN) 2021-12-01 EP disclosed
EP-3915978-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF Hangzhou Yirui Pharmaceutical Technology Co., Ltd (CN) 2021-12-01 EP disclosed
WO-2020151687-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF 杭州壹瑞医药科技有限公司 2020-07-30 WO 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-11993576-B2 N-benzyl-N-arylsulfonamide derivative and preparation and use thereof KCNB1, KCNB2, KCNA3 KDM4E 247/4885HPGD 3002/4885TSHR 2382/4885
US-20220089555-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF KCNB1, KCNB2, KCNA3 KDM4E 247/4885HPGD 3002/4885TSHR 2382/4885

“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.