Sugi Predict

Sugi Predict / Compounds / SCHEMBL1445091

SCHEMBL1445091

SCHEMBL1445091

O=C(O)N1CCN(C(=O)CCl)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.55
▸ HTT P42858 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ RAB9A P51151 2/20 0.46
▸ GPX4 P36969 1/20 0.44
▸ YAP1 P46937 3/20 0.42
▸ TEAD4 Q15561 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40

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
SCHEMBL2959927 0.93 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2POLBRAB9A
SCHEMBL11844730 0.89 — —
SCHEMBL9279972 0.89 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2POLBRAB9A
SCHEMBL8978116 0.89 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2POLBRAB9A
SCHEMBL224023 0.79 — —
SCHEMBL69354 0.79 — —
SCHEMBL23643793 0.78 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2POLBRAB9A
SCHEMBL318820 0.78 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2POLBGPX4
SCHEMBL23194425 0.78 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2POLBGPX4
SCHEMBL5693136 0.78 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2POLBGPX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252953-A1 Targeting Human Thymidylate Kinase Induces DNA Repair Toxicity in Malignant Tumor Cells NATIONAL YANG-MING UNIVERSITY (TW) 2013-09-26 — — US claimed
WO-2023135508-A1 PYRROLO[1,2-b]-2-PYRIDAZINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2023-07-20 — — WO disclosed
CN-110461322-A For inhibiting the composition and method of plasma membrane protein 4 UNIV CALIFORNIA 2019-11-15 — — CN disclosed
WO-2019135010-A1 TIACUMICIN DERIVATIVES AND THEIR USE AS ANTIBIOTICS Universität Zürich (CH) 2019-07-11 — — WO disclosed
EP-3126365-B1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-01-10 — — EP disclosed
US-9662328-B2 Targeting human thymidylate kinase induces DNA repair toxicity in malignant tumor cells NATIONAL TAIWAN UNIVERSITY (TW) 2017-05-30 — — US disclosed
EP-3126365-A1 MACROCYLIC PYRIDINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2017-02-08 — — EP disclosed
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 — — US disclosed
US-9481676-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-01 — — US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 — — US disclosed
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
EP-2480080-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-08-01 — — EP disclosed
WO-2012072019-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS CHANG ZEE-FEN (CN) 2012-06-07 — — WO disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 — — US disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 — — WO disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 — — US disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 — — CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 — — CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 — — CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 — — CN 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-20130252953-A1 Targeting Human Thymidylate Kinase Induces DNA Repair Toxicity in Malignant Tumor Cells DTYMK, TYMP, DCK ALDH1A1 1837/4885HTT 4030/4885SMN1; SMN2 4078/4885
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALDH1A1 1514/4885HTT 324/4885SMN1; SMN2 2604/4885
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES VPS26B, VPS4B, VPS28 ALDH1A1 4381/4885HTT 2941/4885SMN1; SMN2 3304/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 ALDH1A1 1048/4885HTT 1115/4885SMN1; SMN2 4536/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALDH1A1 1514/4885HTT 324/4885SMN1; SMN2 2604/4885

“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.