Sugi Predict

Sugi Predict / Compounds / SCHEMBL4149248

SCHEMBL4149248

SCHEMBL4149248

CNNC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ CA12 O43570 2/20 0.58
▸ CA1 P00915 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HTT P42858 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ P2RX7 Q99572 1/20 0.53
▸ CTRB1 P17538 2/20 0.51
▸ MGLL Q99685 1/20 0.51

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
Hydrochloric Acid SCHEMBL4149246 0.98 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA9
SCHEMBL2295789 0.88 CA12 (0.66) ALDH1A1CA12CA1CA2CA9
Benzyl N-Methylcarbamate SCHEMBL645204 0.86 ALDH1A1 (0.62) ALDH1A1CA12CA1CA2CA9
Benzyl N-Methylcarbamate SCHEMBL6510776 0.85 ALDH1A1 (0.60) ALDH1A1CA12CA1CA2CA9
Benzyl N-Methylcarbamate SCHEMBL6461910 0.83 ALDH1A1 (0.63) ALDH1A1CA12CA1CA2CA9
SCHEMBL28954497 0.83 ALDH1A1 (0.63) ALDH1A1CA12CA1CA2CA9
SCHEMBL2918702 0.83 GAA (0.64) ALDH1A1CA12CA1CA2CA9
SCHEMBL27880557 0.82 CA12 (0.60) ALDH1A1CA12CA1CA2CA9
SCHEMBL11651843 0.82 CA12 (0.60) ALDH1A1CA12CA1CA2CA9
SCHEMBL234454 0.82 LMNA (0.62) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1511044-A Elogated and multiple spacers in activatible prodrugs — 2004-07-07 — — CN claimed
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 — — US disclosed
CN-109843892-B Oxadiazepinone derivatives and their use in the treatment of hepatitis B infections 诺维拉治疗公司 2022-01-25 — — CN disclosed
EP-3408263-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-03-03 — — EP disclosed
US-9930892-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2018-04-03 — — US disclosed
US-9930892-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2018-04-03 — — US disclosed
WO-2017132021-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 — — WO disclosed
US-20170208810-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 — — US disclosed
US-20170208810-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 — — US disclosed
WO-2017048720-A1 PRODRUGS OF FENCAMFAMINE PRAXIS BIOSCIENCES, LLC (US) 2017-03-23 — — WO disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 — — EP disclosed
CN-1170827-C Benzofurylpyrone derivatives ������������ʽ���� 2004-10-13 — — CN disclosed
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 — — US disclosed
WO-2002022576-A2 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2002-03-21 — — WO disclosed
CN-1299359-A Benzofurylpyrone derivatives TEIJIN LTD (JP) 2001-06-13 — — CN disclosed
US-5112968-A Monobactam hydrazide derivatives E. R. SQUIBB & SONS, INC. (US) 1992-05-12 — — US disclosed
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS — 1991-10-09 — — EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 — — EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 — — EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 — — 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 (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-20170208810-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 ALDH1A1 448/4885CA12 3785/4885CA1 2480/4885
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors MKI67, FLT4, IDO1 ALDH1A1 98/4885CA12 2101/4885CA1 2131/4885
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 ALDH1A1 664/4885CA12 4490/4885CA1 3602/4885

“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.