Sugi Predict

Sugi Predict / Compounds / SCHEMBL874422

SCHEMBL874422

SCHEMBL874422

O=C(O)c1nc(N2CCNCC2)c(C(=O)O)nc1N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.41
▸ USP2 O75604 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ATP6V1B2 P21281 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ EDNRA P25101 1/20 0.38
▸ TARBP2 Q15633 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ ADRB1 P08588 1/20 0.36

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
SCHEMBL2339894 0.94 HRH1 (0.39) HRH1USP2SMN1; SMN2TDP1HSD17B10
SCHEMBL2351827 0.82 CHRNB2 (0.41) HRH1USP2SMN1; SMN2TDP1HTR2C
SCHEMBL13377947 0.81 ALDH1A1 (0.43) SMN1; SMN2TDP1HSD17B10ALDH1A1TSHR
SCHEMBL27686764 0.80 ALDH1A1 (0.39) HSD17B10ALDH1A1TSHRKDM4EHTR2C
SCHEMBL15461697 0.80 ALDH1A1 (0.43) HSD17B10ALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL23536762 0.78 HTR2C (0.44) ALDH1A1KDM4EHTR2C
SCHEMBL31736542 0.78 HTR2C (0.44) ALDH1A1KDM4EHTR2C
SCHEMBL874433 0.76 L3MBTL1 (0.43) SMN1; SMN2HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL898825 0.76 POLB (0.47) TDP1ALDH1A1KDM4ELMNA
SCHEMBL13378024 0.74 KDM4E (0.47) ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695445-B2 Methods of using optical agents MEDIBEACON INC. (US) 2020-06-30 — — US claimed
US-20190022256-A1 METHODS OF USING OPTICAL AGENTS MALLINCKRODT LLC 2019-01-24 — — US claimed
US-20160045619-A1 METHODS OF USING OPTICAL AGENTS MALLINCKRODT INC. 2016-02-18 — — US claimed
EP-1986701-B1 OPTICAL AGENTS FOR USE IN SURGERY MALLINCKRODT LLC (US) 2012-06-13 — — EP claimed
US-20080312539-A1 Methods of Using Optical Agents MEDIBEACON, INC. 2008-12-18 — — US claimed
EP-1986701-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT, INC. (US) 2008-11-05 — — EP claimed
WO-2007106142-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT INC. (US) 2007-09-20 — — WO claimed
US-20240125703-A1 SYSTEMS AND METHODS FOR QUANTIFYING USER OBSERVED VISUALIZATION OF FLUORESCENCE IMAGING AGENTS STRYKER CORPORATION 2024-04-18 — — US disclosed
WO-2024059825-A1 SYSTEMS AND METHODS FOR QUANTIFYING USER OBSERVED VISUALIZATION OF FLUORESCENCE IMAGING AGENTS STRYKER CORPORATION (US) 2024-03-21 — — WO disclosed
WO-2023069892-A1 CONDITIONALLY ACTIVE PROTEINS FOR NEURODEGENERATIVE DISEASES SHORT JAY M (US) 2023-04-27 — — WO disclosed
US-11607458-B2 Enrichment-triggered chemical delivery system GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-03-21 — — US disclosed
CN-108780094-B Diagnostic methods using conditionally active antibodies 生物蛋白有限公司 2022-09-13 — — CN disclosed
US-11351274-B2 Methods of using optical agents MEDIBEACON INC. (US) 2022-06-07 — — US disclosed
EP-1986701-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT, INC. (US) 2008-11-05 — — EP disclosed
EP-1854790-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2007-11-14 — — EP disclosed
EP-1854790-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2007-11-14 — — EP disclosed
EP-1836175-A2 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MALLINCKRODT, INC. (US) 2007-09-26 — — EP disclosed
WO-2007106142-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT INC. (US) 2007-09-20 — — WO disclosed
WO-2007106142-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT INC. (US) 2007-09-20 — — WO disclosed
WO-2006071759-A2 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MALLINCKRODT INC. (US) 2006-07-06 — — 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 (5 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-20160045619-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL HRH1 3354/4885USP2 2741/4885SMN1; SMN2 3433/4885
US-11607458-B2 Enrichment-triggered chemical delivery system HMGB1, PAICS, CCL2 HRH1 3519/4885USP2 739/4885SMN1; SMN2 2248/4885
US-10695445-B2 Methods of using optical agents REN, ATP6V1B1, VHL HRH1 3354/4885USP2 2741/4885SMN1; SMN2 3433/4885
US-20190022256-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL HRH1 3354/4885USP2 2741/4885SMN1; SMN2 3433/4885
US-11351274-B2 Methods of using optical agents REN, ATP6V1B1, VHL HRH1 3354/4885USP2 2741/4885SMN1; SMN2 3433/4885

“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.