SCHEMBL629644

SCHEMBL629644

O=[N+]([O-])c1ccc(COCOCOCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.63
AKR1C3 P42330 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.53
TSHR P16473 1/20 0.50
RAB9A P51151 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL37463 0.90 IDO1 (0.70) IDO1AKR1C3LOXL2TSHRRAB9A
SCHEMBL15114767 0.87 IDO1 (0.58) IDO1AKR1C3LOXL2TSHRRAB9A
SCHEMBL6141174 0.84 IDO1 (0.63) IDO1AKR1C3LOXL2TSHRRAB9A
SCHEMBL6141206 0.84 IDO1 (0.54) IDO1AKR1C3LOXL2TSHRRAB9A
SCHEMBL7087223 0.82 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRRAB9A
SCHEMBL3935764 0.82 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRRAB9A
SCHEMBL3935769 0.82 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRRAB9A
SCHEMBL3157211 0.82 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRRAB9A
SCHEMBL7027123 0.82 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRRAB9A
SCHEMBL7032223 0.82 IDO1 (0.61) IDO1AKR1C3LOXL2TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049294-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-02-16 US claimed
WO-2021216722-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2021-10-28 WO claimed
EP-3494996-B1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 158P1D7 PROTEINS AGENSYS INC (US) 2026-04-15 EP disclosed
US-12551499-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2026-02-17 US disclosed
US-20260034234-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS AGENSYS, INC. (US) 2026-02-05 US disclosed
US-20260000604-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-191P4D12 ANTIBODY DRUG CONJUGATES AND METHODS OF USE THEREOF AGENSYS, INC. (US) 2026-01-01 US disclosed
US-12496353-B2 Synergistic effects between auristatin-based antibody drug conjugates and inhibitors of the PI3K-AKT mTOR pathway SEAGEN INC. (US) 2025-12-16 US disclosed
EP-4604951-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF AMIRA THERAPEUTICS, S.L. (ES) 2025-08-27 EP disclosed
CN-113784721-B High activity compounds against COVID-19 阿堤亚制药公司 2025-06-13 CN disclosed
US-12257340-B2 Pharmaceutical compositions comprising anti-191P4D12 antibody drug conjugates and methods of use thereof AGENSYS, INC. (US) 2025-03-25 US disclosed
EP-3581206-B1 SYNERGISTIC EFFECTS BETWEEN AURISTATIN-BASED ANTIBODY DRUG CONJUGATES AND INHIBITORS OF THE P13K-AKT MTOR PATHWAY SEAGEN INC (US) 2024-12-25 EP disclosed
WO-2007123763-A2 ARTICLES HAVING LOCALIZED MOLECULES DISPOSED THEREON AND METHODS OF PRODUCING SAME PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2007-11-01 WO disclosed
US-20070238679-A1 Articles having localized molecules disposed thereon and methods of producing same PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2007-10-11 US disclosed
WO-2006136309-A1 CRIPOWELLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed
US-20060173172-A1 Method for producing novel spinosyn derivatives JESCHKE PETER 2006-08-03 US disclosed
US-7034130-B2 Method for producing novel spinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-04-25 US disclosed
EP-1412346-B1 METHOD FOR PRODUCING NOVEL SPINOSYN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2005-03-09 EP disclosed
US-20040242858-A1 Method for producing novel spinosyn derivatives BAYER CROPSCIENCE AG (DE) 2004-12-02 US disclosed
EP-1412346-A1 METHOD FOR PRODUCING NOVEL SPINOSYN DERIVATIVES Bayer CropScience AG (DE) 2004-04-28 EP disclosed
WO-2003010155-A1 METHOD FOR PRODUCING NOVEL SPINOSYN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-02-06 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 (8 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-12496353-B2 Synergistic effects between auristatin-based antibody drug conjugates and inhibitors of the PI3K-AKT mTOR pathway MTOR, RICTOR, PIK3R5 IDO1 3931/4885AKR1C3 3599/4885LOXL2 4834/4885
US-20060173172-A1 Method for producing novel spinosyn derivatives COX15, SYVN1, CYP51A1 IDO1 2418/4885AKR1C3 213/4885LOXL2 676/4885
US-20260000604-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-191P4D12 ANTIBODY DRUG CONJUGATES AND METHODS OF USE THEREOF CD44, CA12, H1-10 IDO1 1703/4885AKR1C3 3373/4885LOXL2 4676/4885
US-20040242858-A1 Method for producing novel spinosyn derivatives COX15, SYVN1, CYP51A1 IDO1 2418/4885AKR1C3 213/4885LOXL2 676/4885
US-12551499-B2 Highly active compounds against COVID-19 PNP, SLC29A2, MTAP IDO1 1637/4885AKR1C3 2273/4885LOXL2 3658/4885
US-20230049294-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES NUDT1, PNP, ITPA IDO1 2727/4885AKR1C3 2132/4885LOXL2 4811/4885
US-12257340-B2 Pharmaceutical compositions comprising anti-191P4D12 antibody drug conjugates and methods of use thereof TMED10, CD44, CA12 IDO1 2624/4885AKR1C3 3920/4885LOXL2 4682/4885
US-20260034234-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS IGSF11, ARID2, DYNLL2 IDO1 1376/4885AKR1C3 3248/4885LOXL2 2978/4885

“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.