SCHEMBL1694377

SCHEMBL1694377

CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 16/20 0.49
▸ NPY1R P25929 10/20 0.49
▸ NPY5R Q15761 9/20 0.49
▸ NPY2R P49146 6/20 0.49
▸ PDF Q9HBH1 1/20 0.46
▸ SSTR3 P32745 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4799804 1.00 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL1694104 1.00 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
Hydrochloric Acid SCHEMBL1259758 0.99 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
Hydrochloric Acid SCHEMBL6703991 0.99 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL8089028 0.92 PDF (0.47) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL11374268 0.88 PDF (0.49) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL8723156 0.88 PDF (0.52) NPY4RNPY1RNPY5RNPY2RPDF
4-Nitroaniline SCHEMBL11127406 0.87 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
4-Nitroaniline SCHEMBL10711897 0.87 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL5756647 0.87 PDF (0.45) NPY4RNPY1RNPY5RNPY2RPDF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4740938-A1 PREPARATION METHOD FOR KLK1 FUSION PROTEIN ALEBUND PHARMACEUTICALS (HONG KONG) LIMITED (HK) 2026-05-13 — — EP disclosed
EP-4037687-B1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS MOLECULAR SKIN THERAPEUTICS INC (US) 2025-10-29 — — EP disclosed
CN-120137951-A Recombinant human kininogenase mutant and application thereof 北京华大蛋白质研发中心有限公司 2025-06-13 — — CN disclosed
US-12281123-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors MOLECULAR SKIN THERAPEUTICS, INC. (US) 2025-04-22 — — US disclosed
CN-119546286-A Preparation method of KLK1 fusion protein 礼邦医药(香港)有限公司 2025-02-28 — — CN disclosed
CN-114615984-B Benzoxazinone compounds as dual KLK5/7 inhibitors 分子皮肤治疗公司 2025-02-07 — — CN disclosed
WO-2025007838-A1 PREPARATION METHOD FOR KLK1 FUSION PROTEIN 礼邦医药(香港)有限公司 2025-01-09 — — WO disclosed
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS ML Bio Solutions Inc. 2024-02-29 — — US disclosed
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors MOLECULAR SKIN THERAPEUTICS, INC. (US) 2023-05-09 — — US disclosed
EP-4037687-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS Molecular Skin Therapeutics, Inc. (US) 2022-08-10 — — EP disclosed
EP-0458903-A1 SOLUBLE ANALOGS OF THROMBOMODULIN CODON (US) 1991-12-04 — — EP disclosed
WO-1991015514-A1 OXIDATION RESISTANT THROMBOMODULIN ANALOGS SCHERING AKTIENGESELLSCHAFT (DE) 1991-10-17 — — WO disclosed
WO-1990010081-A1 SOLUBLE ANALOGS OF THROMBOMODULIN CODON (US) 1990-09-07 — — WO disclosed
EP-0365568-A1 PROTEINS AND DERIVATIVES THEREOF NOVO NORDISK A/S (DK) 1990-05-02 — — EP disclosed
EP-0352227-A2 Modified proteins CIBA-GEIGY AG (CH) 1990-01-24 — — EP disclosed
EP-0352228-A2 Novel proteins CIBA-GEIGY AG (CH) 1990-01-24 — — EP disclosed
US-4835253-A LOW MOLECULAR WEIGHT KININOGEN ANALOGS THE UNIVERSITY HOSPITAL (US) 1989-05-30 — — US disclosed
WO-1988009811-A1 PROTEINS AND DERIVATIVES THEREOF NOVO-NORDISK A/S (DK) 1988-12-15 — — WO disclosed
US-4595674-A Pharmaceuticals BAYER AKTIENGESELLSCHAFT (DE) 1986-06-17 — — US disclosed
US-4234477-A DIAGNOSTIC DETERMINATION OF A HYDROLASE, CALLICREIN BAYER AKTIENGESELLSCHAFT (DE) 1980-11-18 — — 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 (3 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-12281123-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors KLK5, KLK1, KLK2 NPY4R 1425/4885NPY1R 1052/4885NPY5R 705/4885
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors KLK5, KLK1, KLK2 NPY4R 1425/4885NPY1R 1052/4885NPY5R 705/4885
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS KLK5, KLK1, KLK2 NPY4R 1425/4885NPY1R 1052/4885NPY5R 705/4885

“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.

Send feedback