SCHEMBL537641

SCHEMBL537641

C=C(C#N)C=C(C#N)C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RGS12 O14924 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
BRCA1 P38398 1/20 0.32

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
SCHEMBL25887361 0.73
SCHEMBL5973948 0.73
SCHEMBL27568717 0.73
SCHEMBL18015608 0.71
SCHEMBL17471633 0.71 TDP1 (0.32) TDP1KDM4EMEN1ALDH1A1POLB
SCHEMBL23572369 0.71
SCHEMBL11178841 0.71
SCHEMBL22000765 0.69 TDP1 (0.30) TDP1
SCHEMBL18870524 0.69
SCHEMBL24013613 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2879675-B1 COMPOUNDS AND METHODS FOR TARGETING HSP90 UNIV DUKE (US) 2019-11-13 EP claimed
WO-2016205551-A2 FZD7 SPECIFIC ANTIBODIES AND VACCINES TO TREAT CANCER AND CONTROL STEM CELL FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-22 WO claimed
US-12616733-B2 XBP1, CD138, and CS1 peptides, pharmaceutical compositions that include the peptides, and methods of using such peptides and compositions DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-05-05 US disclosed
US-20260041767-A1 METHODS OF IMPROVING CELLULAR THERAPY WITH ORGANELLE COMPLEXES UNIV HOKKAIDO NAT UNIV CORP (JP) 2026-02-12 US disclosed
US-12359208-B2 Thermal control of T-cell immunotherapy through molecular and physical actuation CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-07-15 US disclosed
EP-4565684-A1 METHODS OF IMPROVING CELLULAR THERAPY WITH ORGANELLE COMPLEXES National University Corporation Hokkaido University (JP) 2025-06-11 EP disclosed
US-12220423-B2 Compounds, derivatives, and analogs for cancer HYGIA PHARMACEUTICALS, LLC (US) 2025-02-11 US disclosed
US-20250018031-A1 PEPTIDE VACCINES AND PEMBROLIZUMAB FOR TREATING BREAST CANCER ONCOPEP INC (US) 2025-01-16 US disclosed
US-20240376490-A1 SYNTHETIC MAMMALIAN SIGNALING CIRCUITS FOR ROBUST CELL POPULATION CONTROL CALIFORNIA INSTITUTE OF TECHNOLOGY 2024-11-14 US disclosed
US-12059463-B2 Peptide vaccines and pembrolizumab for treating breast cancer ONCOPEP, INC. (US) 2024-08-13 US disclosed
US-11999964-B2 Synthetic mammalian signaling circuits for robust cell population control CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2024-06-04 US disclosed
WO-2011063421-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2011-05-26 WO disclosed
WO-2011034954-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. (US) 2011-03-24 WO disclosed
WO-2011031865-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2011-03-17 WO disclosed
WO-2010117668-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2010-10-14 WO disclosed
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2010114768-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2010-10-07 WO disclosed
US-20100173934-A1 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER BURKE GREGORY P 2010-07-08 US disclosed
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols NOVARTIS AG (CH) 2010-03-25 US disclosed
US-20080275114-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-11-06 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 (7 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-20260041767-A1 METHODS OF IMPROVING CELLULAR THERAPY WITH ORGANELLE COMPLEXES TFAM, FIS1, TUFM TDP1 854/4885KDM4E 2587/4885MEN1 3840/4885
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 TDP1 3915/4885KDM4E 792/4885MEN1 1499/4885
US-20080275114-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 TDP1 2269/4885KDM4E 3012/4885MEN1 2702/4885
US-12616733-B2 XBP1, CD138, and CS1 peptides, pharmaceutical compositions that include the peptides, and methods of using such peptides and compositions XBP1, MCL1, CD81 TDP1 2920/4885KDM4E 955/4885MEN1 2034/4885
US-20100173934-A1 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER TUBB6, TUBB3, TUBB1 TDP1 1343/4885KDM4E 3372/4885MEN1 1998/4885
US-20100075963-A1 Pharmaceutically Active Benzensulphonyl-Indols CCR9, IDO1, CCR10 TDP1 3432/4885KDM4E 1044/4885MEN1 4615/4885
US-12220423-B2 Compounds, derivatives, and analogs for cancer KRAS, PIK3CA, PIK3CD TDP1 2827/4885KDM4E 1417/4885MEN1 376/4885

“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.