Sugi Predict

Sugi Predict / Compounds / SCHEMBL3759745

SCHEMBL3759745

SCHEMBL3759745

CC(COC(=O)OCC(C)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.51
▸ ALDH1A1 P00352 11/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 9/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ KDM4E B2RXH2 7/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 2/20 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
SCHEMBL12050503 0.91 ALDH1A1 (0.53) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL3759750 0.91 SRC (0.50) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL3759748 0.91 SRC (0.50) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL300397 0.91 SRC (0.44) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL12050506 0.90 SRC (0.49) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL3325640 0.84 ALDH1A1 (0.48) SRCALDH1A1LMNAMAPTL3MBTL1
SCHEMBL3326580 0.83 SRC (0.47) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL3325844 0.82 SRC (0.57) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL3326237 0.82 SRC (0.48) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL14782111 0.82 SRC (0.48) SRCALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419513-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2025-08-27 — — EP disclosed
US-12384800-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2025-08-12 — — US disclosed
US-20250243174-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2025-07-31 — — US disclosed
WO-2025077996-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2025-04-17 — — WO disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 — — US disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 — — US disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 — — EP disclosed
EP-3615544-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 — — EP disclosed
EP-4101855-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 — — EP disclosed
EP-4101855-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2023-08-02 — — EP disclosed
WO-2021043951-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2021-03-11 — — WO disclosed
US-20210070775-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2021-03-11 — — US disclosed
EP-3615544-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2020-03-04 — — EP disclosed
US-10538535-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2020-01-21 — — US disclosed
US-10442820-B2 — — 2019-10-15 — — US disclosed
US-20180312529-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2018-11-01 — — US disclosed
WO-2018197663-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2018-11-01 — — WO disclosed
US-8754252-B2 Asymmetric cyclization processes using unsaturated nitro compounds NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-06-17 — — US disclosed
US-20130096338-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-04-18 — — US disclosed
US-20100298576-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-11-25 — — 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 (10 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-12384800-B2 Antitumoral compounds TP53, TOP1, MCL1 SRC 2570/4885ALDH1A1 144/4885LMNA 1898/4885
US-10538535-B2 Antitumoral compounds TP53, RB1, XPOT SRC 1605/4885ALDH1A1 997/4885LMNA 2420/4885
US-20250243174-A1 ANTITUMORAL COMPOUNDS MCL1, XPOT, GZMB SRC 1972/4885ALDH1A1 318/4885LMNA 1550/4885
US-20130096338-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NQO1, COASY, NOS2 SRC 1641/4885ALDH1A1 2383/4885LMNA 983/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL SRC 1795/4885ALDH1A1 785/4885LMNA 1254/4885
US-20210070775-A1 Antitumoral Compounds TP53, RB1, XPOT SRC 1605/4885ALDH1A1 997/4885LMNA 2420/4885
US-10442820-B2 — RPS4X, RPS4Y1, XPOT SRC 1697/4885ALDH1A1 1083/4885LMNA 2072/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 SRC 2570/4885ALDH1A1 144/4885LMNA 1898/4885
US-20100298576-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NQO1, COASY, NOS2 SRC 1641/4885ALDH1A1 2383/4885LMNA 983/4885
US-20180312529-A1 Antitumoral Compounds TP53, RB1, XPOT SRC 1605/4885ALDH1A1 997/4885LMNA 2420/4885

“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.