Sugi Predict

Sugi Predict / Compounds / SCHEMBL219560

SCHEMBL219560

SCHEMBL219560

CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FKBP4 Q02790 1/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ NPY1R P25929 2/20 0.39
▸ PDF Q9HBH1 1/20 0.39
▸ NTSR2 O95665 2/20 0.38
▸ NTSR1 P30989 2/20 0.38
▸ SORT1 Q99523 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PLK1 P53350 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
SCHEMBL5835132 1.00 FKBP4 (0.41) FKBP4TACR1NPY1RPDFNTSR2
Hydrochloric Acid SCHEMBL10448676 0.99 FKBP4 (0.41) FKBP4TACR1NPY1RPDFNTSR2
Hydrochloric Acid SCHEMBL4684622 0.99 FKBP4 (0.41) FKBP4TACR1NPY1RPDFNTSR2
Hydrochloric Acid SCHEMBL6673589 0.99 FKBP4 (0.41) FKBP4TACR1NPY1RPDFNTSR2
SCHEMBL8502170 0.90 OPRM1 (0.42) FKBP4TACR1PDFITGB1ITGA4
SCHEMBL31256537 0.88 GRB2 (0.49) NPY1RNTSR2NTSR1SORT1ITGB1
SCHEMBL497331 0.86 FKBP4 (0.43) FKBP4TACR1ITGB1ITGA4OPRM1
SCHEMBL11418081 0.86 NTMT1 (0.47) FKBP4TACR1PDFITGB1ITGA4
SCHEMBL7375179 0.86 DPP7 (0.39) TACR1NPY1RNTSR2NTSR1SORT1
SCHEMBL5874068 0.86 NTMT1 (0.44) FKBP4TACR1PDFITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282693-B1 HUMAN COAGULATION FACTOR VII VARIANTS NOVO NORDISK HEALTHCARE AG (CH) 2010-10-20 — — EP claimed
EP-4655316-A1 METHOD FOR REDUCING PROTEASE ACTIVITY IN A SOLUTION COMPRISING ANTI-D IMMUNOGLOBULIN G CSL Behring AG (CH) 2025-12-03 — — EP disclosed
EP-4037687-B1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS MOLECULAR SKIN THERAPEUTICS INC (US) 2025-10-29 — — EP disclosed
US-12428421-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 — — US disclosed
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 — — US disclosed
US-20250223337-A1 METHODS OF PREPARING ALBUMIN PREPARATIONS CSL BEHRING LLC (US) 2025-07-10 — — US disclosed
US-12281123-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors MOLECULAR SKIN THERAPEUTICS, INC. (US) 2025-04-22 — — US disclosed
EP-4507716-A1 METHODS OF PREPARING ALBUMIN PREPARATIONS CSL Behring LLC (US) 2025-02-19 — — EP disclosed
CN-114615984-B Benzoxazinone compounds as dual KLK5/7 inhibitors 分子皮肤治疗公司 2025-02-07 — — CN disclosed
CN-119013036-A Method for preparing albumin preparation 美国杰特贝林生物制品有限公司 2024-11-22 — — CN disclosed
US-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-05-02 — — US disclosed
WO-2002010439-A2 MACROMOLECULAR ENZYME SUBSTRATES THE GOVERNMENT OF UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-02-07 — — WO disclosed
EP-1162194-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use Aventis Pharma Deutschland GmbH (DE) 2001-12-12 — — EP disclosed
EP-1095933-A1 Novel N-guanidinoalkylamides, their preparation, their use, and pharmaceutical preparations comprising them Aventis Pharma Deutschland GmbH (DE) 2001-05-02 — — EP disclosed
US-5453269-A Heterobifunctional antibodies having dual specificity for fibrin and thrombolylic agents and methods of use THE GENERAL HOSPITAL CORPORATION (US) 1995-09-26 — — US disclosed
WO-1994025581-A1 MODIFIED RECOMBINANT TISSUE PLASMINOGEN ACTIVATOR SOUTHERN SYDNEY AREA HEALTH SERVICE (AU) 1994-11-10 — — WO disclosed
WO-1994004173-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR INHIBITING IL-8-MEDIATED INFLAMMATION THE SCRIPPS RESEARCH INSTITUTE (US) 1994-03-03 — — WO disclosed
EP-0569525-A1 METHOD OF PRODUCING F(ab') 2? FRAGMENTS OF IMMUNOGLOBULINS COULTER CORPORATION (US) 1993-11-18 — — EP disclosed
WO-1992013876-A1 METHOD OF PRODUCING F(ab')2 FRAGMENTS OF IMMUNOGLOBULINS COULTER CORPORATION (US) 1992-08-20 — — WO disclosed
US-4861865-A Novel antithrombin peptide WASHINGTON UNIVERSITY (US) 1989-08-29 — — 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-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 FKBP4 439/4885TACR1 2574/4885NPY1R 206/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 FKBP4 1016/4885TACR1 1341/4885NPY1R 249/4885
US-12281123-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors KLK5, KLK1, KLK2 FKBP4 1580/4885TACR1 3719/4885NPY1R 1052/4885
US-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use F7, F9, F5 FKBP4 2797/4885TACR1 822/4885NPY1R 2031/4885

“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.