SCHEMBL3136565

SCHEMBL3136565

O=C(O)NC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL712181 0.83 ALDH1A1 (0.44) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL31734135 0.78 ALDH1A1 (0.39) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL14747258 0.77 ALDH1A1 (0.33) ALDH1A1TP53TSHR
SCHEMBL6969487 0.75 ALDH1A1 (0.37) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL1563693 0.73 CRBN (0.41) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL13436162 0.73 CRBN (0.41) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL6234856 0.69 L3MBTL1 (0.32) ALDH1A1TP53TSHRL3MBTL1
SCHEMBL4119686 0.69 L3MBTL1 (0.46) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL11318749 0.69 ALDH1A1 (0.32) ALDH1A1TP53TSHRL3MBTL1HPGD
SCHEMBL6959890 0.69 L3MBTL1 (0.32) ALDH1A1TP53TSHRL3MBTL1

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199612-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-06-20 US disclosed
US-20240182603-A1 SULFUR-SUBSTITUTED SUGAR TO STABILIZE OLIGOSACCHARIDE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-06 US disclosed
EP-4308227-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
US-20230114498-A1 COMPOSITION AND METHOD FOR TREATING DERMATOLOGICAL DISORDERS USING RETINAMIDES UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-04-13 US disclosed
WO-2022228568-A1 PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 劲方医药科技(上海)有限公司 2022-11-03 WO disclosed
WO-2022197755-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
CN-115087487-A Compositions and methods for treating skin disorders using tretinoin 马里兰大学巴尔的摩分校 2022-09-20 CN disclosed
WO-2021127438-A1 COMPOSITION AND METHOD FOR TREATING DERMATOLOGICAL DISORDERS USING RETINAMIDES UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-06-24 WO disclosed
EP-3114126-B1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-31 EP disclosed
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-23 US disclosed
US-5183929-A Method for production of T-butyl 3-oxobutyrates and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-02 US disclosed
US-5109131-A METHOD FOR PRODUCTION OF T-BUTYL 3-OXOBUTYRATES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-28 US disclosed
US-4965260-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1990-10-23 US disclosed
EP-0324418-A2 Method for production of t-butyl- 3-oxobutyrates and their use Takeda Chemical Industries, Ltd. (JP) 1989-07-19 EP disclosed
US-4826820-A BACTERICIDES BEECHAM GROUP P.L.C. (GB) 1989-05-02 US disclosed
US-4680390-A CEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-07-14 US disclosed
EP-0216169-A2 Erythromycin derivatives BEECHAM GROUP PLC (GB) 1987-04-01 EP disclosed
US-4520194-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-05-28 US disclosed
US-4510138-A 7-[2-(2-Aminothiazol-4-yl)-2-(syn)-methoxyiminoacetamido]cephalosporin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-09 US disclosed
US-4278671-A ANTIBIOTICS, BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-07-14 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 (4 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-20230114498-A1 COMPOSITION AND METHOD FOR TREATING DERMATOLOGICAL DISORDERS USING RETINAMIDES NR2E3, RPS6KA2, NEK1 ALDH1A1 3500/4885TP53 3647/4885TSHR 2591/4885
US-20240182603-A1 SULFUR-SUBSTITUTED SUGAR TO STABILIZE OLIGOSACCHARIDE TST, CD44, CSGALNACT1 ALDH1A1 3579/4885TP53 626/4885TSHR 989/4885
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents CCNI, H1-0, H1-3 ALDH1A1 796/4885TP53 3092/4885TSHR 2525/4885
US-20240199612-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK4 ALDH1A1 2752/4885TP53 4316/4885TSHR 3255/4885

“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.